(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C31H27N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C31H27N4O3Cl
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C31H27ClN4O3/c32-26-12-8-22(9-13-26)21-39-28-14-10-23(11-15-28)30-25(20-36(35-30)27-5-2-1-3-6-27)17-24(18-33)31(37)34-19-29-7-4-16-38-29/h1-3,5-6,8-15,17,20,29H,4,7,16,19,21H2,(H,34,37)/t29-/m1/s1
InChIK	BZABBPOVUIHSDM-GDLZYMKVSA-N
TotalMolweight	539.033
Molweight	539.033
MonoisotopicMass	538.177168
CLogP	4.4525
CLogS	-6.538
H Acceptors	7
H Donors	1
TotalSurfaceArea	419.35
Relative PSA	0.18099
PolarSurfaceArea	89.17
Druglikeness	-0.57006
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

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