(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile

Formula:C31H27N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
MolecularFormula	C31H27N4O2Cl
Smiles	N#C/C(/C(N1CCCCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C31H27ClN4O2/c32-27-13-9-23(10-14-27)22-38-29-15-11-24(12-16-29)30-26(21-36(34-30)28-7-3-1-4-8-28)19-25(20-33)31(37)35-17-5-2-6-18-35/h1,3-4,7-16,19,21H,2,5-6,17-18,22H2
InChIK	ILMMDTMBENHANT-UHFFFAOYSA-N
TotalMolweight	523.034
Molweight	523.034
MonoisotopicMass	522.182253
CLogP	5.5522
CLogS	-6.447
H Acceptors	6
TotalSurfaceArea	409.45
Relative PSA	0.14163
PolarSurfaceArea	71.15
Druglikeness	-0.34313
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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