(E)-3-(4-nitroanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C24H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitroanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-nitroanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H16N4O2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\Nc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C24H16N4O2S/c25-14-20(15-26-21-10-12-22(13-11-21)28(29)30)24-27-23(16-31-24)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,15-16,26H
InChIK	AKLPAUHKXBOQRO-UHFFFAOYSA-N
TotalMolweight	424.483
Molweight	424.483
MonoisotopicMass	424.099396
CLogP	3.8212
CLogS	-6.929
H Acceptors	6
H Donors	1
TotalSurfaceArea	328.79
Relative PSA	0.26391
PolarSurfaceArea	122.77
Druglikeness	-6.8422
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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