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[ CAS No. 912773-15-0 ]

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Chemical Structure| 912773-15-0
Chemical Structure| 912773-15-0
Structure of 912773-15-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 912773-15-0 ]

CAS No. :912773-15-0 MDL No. :MFCD08460071
Formula : C6H10N4 Boiling Point : -
Linear Structure Formula :- InChI Key :FUHUMDWVJYSYSV-UHFFFAOYSA-N
M.W :138.17 g/mol Pubchem ID :45789609
Synonyms :

Calculated chemistry of [ 912773-15-0 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.55
TPSA : 63.83 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) : -7.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.01
Log Po/w (XLOGP3) : 0.12
Log Po/w (WLOGP) : 0.31
Log Po/w (MLOGP) : -0.52
Log Po/w (SILICOS-IT) : 0.14
Consensus Log Po/w : 0.21

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.08
Solubility : 11.4 mg/ml ; 0.0824 mol/l
Class : Very soluble
Log S (Ali) : -1.02
Solubility : 13.3 mg/ml ; 0.0963 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.11
Solubility : 1.08 mg/ml ; 0.0078 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.12

Safety of [ 912773-15-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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