(E)-2-(benzotriazol-1-yl)-3-phenylprop-2-enenitrile

Formula:C15H10N4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(benzotriazol-1-yl)-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzotriazol-1-yl)-3-phenylprop-2-enenitrile
MolecularFormula	C15H10N4
Smiles	N#C/C(/n1nnc2c1cccc2)=C\c1ccccc1
InChI	InChI=1S/C15H10N4/c16-11-13(10-12-6-2-1-3-7-12)19-15-9-5-4-8-14(15)17-18-19/h1-10H
InChIK	FKYQRARJQDNFDJ-UHFFFAOYSA-N
TotalMolweight	246.272
Molweight	246.272
MonoisotopicMass	246.090546
CLogP	2.8054
CLogS	-4.371
H Acceptors	4
TotalSurfaceArea	200.76
Relative PSA	0.21105
PolarSurfaceArea	54.5
Druglikeness	-7.3655
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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