(3E)-1-[4-(1-adamantyl)phenyl]-3-benzylidene-5-(4-chlorophenyl)pyrrol-2-one

Formula:C33H30NOCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-1-[4-(1-adamantyl)phenyl]-3-benzylidene-5-(4-chlorophenyl)pyrrol-2-one is not a drug-like molecule.

MolName	(3E)-1-[4-(1-adamantyl)phenyl]-3-benzylidene-5-(4-chlorophenyl)pyrrol-2-one
MolecularFormula	C33H30NOCl
Smiles	O=C(/C(/C=C1c(cc2)ccc2Cl)=C/c2ccccc2)N1c1ccc(C2(CC(C3)C4)CC4CC3C2)cc1
InChI	InChI=1S/C33H30ClNO/c34-29-10-6-26(7-11-29)31-18-27(17-22-4-2-1-3-5-22)32(36)35(31)30-12-8-28(9-13-30)33-19-23-14-24(20-33)16-25(15-23)21-33/h1-13,17-18,23-25H,14-16,19-21H2
InChIK	CJDRCHHKCAAQLJ-UHFFFAOYSA-N
TotalMolweight	492.06
Molweight	492.06
MonoisotopicMass	491.201591
CLogP	7.7641
CLogS	-8.468
H Acceptors	2
TotalSurfaceArea	362.14
Relative PSA	0.045811
PolarSurfaceArea	20.31
Druglikeness	3.2116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	7
Small Rings	8
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	12
Amides	1
StereoCon

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