5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C29H30N8O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[5-nitro-2,4-di(piperidin-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C29H30N8O2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(c(N2CCCCC2)c2)cc([N+]([O-])=O)c2N2CCCCC2)c1C#N
InChI	InChI=1S/C29H30N8O2/c30-19-22(28-24(20-31)29(32)36(33-28)23-10-4-1-5-11-23)16-21-17-27(37(38)39)26(35-14-8-3-9-15-35)18-25(21)34-12-6-2-7-13-34/h1,4-5,10-11,16-18H,2-3,6-9,12-15,32H2
InChIK	DXMUXLUTHQVNME-UHFFFAOYSA-N
TotalMolweight	522.611
Molweight	522.611
MonoisotopicMass	522.249172
CLogP	2.8095
CLogS	-7.206
H Acceptors	10
H Donors	1
TotalSurfaceArea	412.26
Relative PSA	0.23711
PolarSurfaceArea	143.72
Druglikeness	-6.5312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4359
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	14
Symmetricatoms	6
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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