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

Formula:C27H17N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-diphenylpyrazol-4-yl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-diphenylpyrazol-4-yl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C27H17N5O2S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C27H17N5O2S/c28-16-21(27-29-25(18-35-27)20-10-7-13-24(15-20)32(33)34)14-22-17-31(23-11-5-2-6-12-23)30-26(22)19-8-3-1-4-9-19/h1-15,17-18H
InChIK	SCKAOQKCJOHPBM-UHFFFAOYSA-N
TotalMolweight	475.531
Molweight	475.531
MonoisotopicMass	475.110295
CLogP	3.9103
CLogS	-6.41
H Acceptors	7
TotalSurfaceArea	365.05
Relative PSA	0.25517
PolarSurfaceArea	128.56
Druglikeness	-4.6425
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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