5-amino-3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C19H12N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C19H12N6O2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cccc([N+]([O-])=O)c2)c1C#N
InChI	InChI=1S/C19H12N6O2/c20-11-14(9-13-5-4-8-16(10-13)25(26)27)18-17(12-21)19(22)24(23-18)15-6-2-1-3-7-15/h1-10H,22H2
InChIK	TVIRYYSOSPGIJQ-UHFFFAOYSA-N
TotalMolweight	356.344
Molweight	356.344
MonoisotopicMass	356.102174
CLogP	1.1435
CLogS	-5.222
H Acceptors	8
H Donors	1
TotalSurfaceArea	281.06
Relative PSA	0.32253
PolarSurfaceArea	137.24
Druglikeness	-6.5055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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