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

Formula:C29H23N8O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitrophenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitrophenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C29H23N8O2F
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)cc([N+]([O-])=O)c2N(CC2)CCN2c(cc2)ccc2F)c1C#N
InChI	InChI=1S/C29H23FN8O2/c30-22-7-9-23(10-8-22)35-12-14-36(15-13-35)26-11-6-20(17-27(26)38(39)40)16-21(18-31)28-25(19-32)29(33)37(34-28)24-4-2-1-3-5-24/h1-11,16-17H,12-15,33H2
InChIK	WZNUEKOWWMKZNQ-UHFFFAOYSA-N
TotalMolweight	534.554
Molweight	534.554
MonoisotopicMass	534.1928
CLogP	2.5179
CLogS	-6.986
H Acceptors	10
H Donors	1
TotalSurfaceArea	409.31
Relative PSA	0.23882
PolarSurfaceArea	143.72
Druglikeness	-4.1917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	6
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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