3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-benzotriazine

Formula:C15H10N3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-benzotriazine is a drug-like molecule.

MolName	3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-benzotriazine
MolecularFormula	C15H10N3Cl
Smiles	Clc1ccc(/C=C/c2nc3ccccc3nn2)cc1
InChI	InChI=1S/C15H10ClN3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-19-15/h1-10H
InChIK	IJXQWWARCJDWFF-UHFFFAOYSA-N
TotalMolweight	267.718
Molweight	267.718
MonoisotopicMass	267.056324
CLogP	3.4094
CLogS	-3.713
H Acceptors	3
TotalSurfaceArea	205.82
Relative PSA	0.1599
PolarSurfaceArea	38.67
Druglikeness	-1.2915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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