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[ CAS No. 1638137-85-5 ] {[proInfo.proName]}

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Chemical Structure| 1638137-85-5
Chemical Structure| 1638137-85-5
Structure of 1638137-85-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1638137-85-5 ]

CAS No. :1638137-85-5 MDL No. :MFCD28991718
Formula : C7H15ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :ZUUWWWBWFGAYQM-RGMNGODLSA-N
M.W : 178.66 Pubchem ID :118798398
Synonyms :

Calculated chemistry of [ 1638137-85-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.34
TPSA : 32.34 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.3
Log Po/w (WLOGP) : -0.13
Log Po/w (MLOGP) : 0.28
Log Po/w (SILICOS-IT) : 0.35
Consensus Log Po/w : 0.16

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.07
Solubility : 15.2 mg/ml ; 0.085 mol/l
Class : Very soluble
Log S (Ali) : -0.54
Solubility : 51.3 mg/ml ; 0.287 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.84
Solubility : 25.6 mg/ml ; 0.143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.72

Safety of [ 1638137-85-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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