3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile

Formula:C23H14N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
MolecularFormula	C23H14N6O2
Smiles	N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\c1cccc([N+]([O-])=O)c1
InChI	InChI=1S/C23H14N6O2/c24-15-18(13-17-7-6-10-20(14-17)29(30)31)22-21(16-25)23(27-11-4-5-12-27)28(26-22)19-8-2-1-3-9-19/h1-14H
InChIK	KBCQGLTULQYHQW-UHFFFAOYSA-N
TotalMolweight	406.404
Molweight	406.404
MonoisotopicMass	406.117824
CLogP	3.0943
CLogS	-6.049
H Acceptors	8
TotalSurfaceArea	321.5
Relative PSA	0.25583
PolarSurfaceArea	116.15
Druglikeness	-6.137
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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