1-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]benzotriazole

Formula:C15H12N6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]benzotriazole is a drug-like molecule.

MolName	1-[(E)-3-(benzotriazol-1-yl)prop-1-enyl]benzotriazole
MolecularFormula	C15H12N6
Smiles	C(/C=C/n1nnc2c1cccc2)n1nnc2c1cccc2
InChI	InChI=1S/C15H12N6/c1-3-8-14-12(6-1)16-18-20(14)10-5-11-21-15-9-4-2-7-13(15)17-19-21/h1-10H,11H2
InChIK	OJKPUDJZWJSUBX-UHFFFAOYSA-N
TotalMolweight	276.302
Molweight	276.302
MonoisotopicMass	276.112344
CLogP	1.3413
CLogS	-3.16
H Acceptors	6
TotalSurfaceArea	215.92
Relative PSA	0.26686
PolarSurfaceArea	61.42
Druglikeness	-2.7142
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	1
Aromatic Nitrogens	6
StereoCon

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