(E)-3-anilino-1-[1-(4-nitrophenyl)triazol-4-yl]-3-phenylprop-2-en-1-one

Formula:C23H17N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-anilino-1-[1-(4-nitrophenyl)triazol-4-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-anilino-1-[1-(4-nitrophenyl)triazol-4-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H17N5O3
Smiles	[O-][N+](c(cc1)ccc1-n1nnc(C(/C=C(\c2ccccc2)/Nc2ccccc2)=O)c1)=O
InChI	InChI=1S/C23H17N5O3/c29-23(22-16-27(26-25-22)19-11-13-20(14-12-19)28(30)31)15-21(17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-16,24H
InChIK	GTLZYHQTEOODGS-UHFFFAOYSA-N
TotalMolweight	411.42
Molweight	411.42
MonoisotopicMass	411.13314
CLogP	2.2079
CLogS	-5.08
H Acceptors	8
H Donors	1
TotalSurfaceArea	316.85
Relative PSA	0.26426
PolarSurfaceArea	105.63
Druglikeness	-6.5575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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