2-[[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzonitrile

Formula:C16H11N6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzonitrile is a drug-like molecule.

MolName	2-[[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzonitrile
MolecularFormula	C16H11N6Cl
Smiles	N#Cc(cccc1)c1N/C=C/c1nnnn1-c(cc1)ccc1Cl
InChI	InChI=1S/C16H11ClN6/c17-13-5-7-14(8-6-13)23-16(20-21-22-23)9-10-19-15-4-2-1-3-12(15)11-18/h1-10,19H
InChIK	RIASBFADDXAFFC-UHFFFAOYSA-N
TotalMolweight	322.758
Molweight	322.758
MonoisotopicMass	322.073371
CLogP	2.267
CLogS	-4.79
H Acceptors	6
H Donors	1
TotalSurfaceArea	253.35
Relative PSA	0.25577
PolarSurfaceArea	79.42
Druglikeness	-3.7259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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