(E)-3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile

Formula:C14H10N7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile
MolecularFormula	C14H10N7Cl
Smiles	N#C/C(/c1n[nH]c(Cn2ncnc2)n1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C14H10ClN7/c15-12-3-1-10(2-4-12)5-11(6-16)14-19-13(20-21-14)7-22-9-17-8-18-22/h1-5,8-9H,7H2,(H,19,20,21)
InChIK	SBWFNDKRLFEOMK-UHFFFAOYSA-N
TotalMolweight	311.735
Molweight	311.735
MonoisotopicMass	311.06862
CLogP	0.7836
CLogS	-1.817
H Acceptors	7
H Donors	1
TotalSurfaceArea	242.19
Relative PSA	0.3233
PolarSurfaceArea	96.07
Druglikeness	-0.2175
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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