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

Formula:C24H15N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H15N3O2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C24H15N3O2S/c25-15-21(13-17-5-4-8-22(14-17)27(28)29)24-26-23(16-30-24)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-14,16H
InChIK	YMSOUEQHJKFLCK-UHFFFAOYSA-N
TotalMolweight	409.468
Molweight	409.468
MonoisotopicMass	409.088497
CLogP	4.6505
CLogS	-6.983
H Acceptors	5
TotalSurfaceArea	317.33
Relative PSA	0.23732
PolarSurfaceArea	110.74
Druglikeness	-6.7995
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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