(E)-3-(2-chloroanilino)-5-hydroxy-1,5,5-triphenylpent-2-en-1-one

Formula:C29H24NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroanilino)-5-hydroxy-1,5,5-triphenylpent-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(2-chloroanilino)-5-hydroxy-1,5,5-triphenylpent-2-en-1-one
MolecularFormula	C29H24NO2Cl
Smiles	OC(C/C(/Nc(cccc1)c1Cl)=C\C(c1ccccc1)=O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C29H24ClNO2/c30-26-18-10-11-19-27(26)31-25(20-28(32)22-12-4-1-5-13-22)21-29(33,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-20,31,33H,21H2
InChIK	UJXVZCITVQCTJR-UHFFFAOYSA-N
TotalMolweight	453.968
Molweight	453.968
MonoisotopicMass	453.149556
CLogP	6.4676
CLogS	-6.924
H Acceptors	3
H Donors	2
TotalSurfaceArea	352.4
Relative PSA	0.1067
PolarSurfaceArea	49.33
Druglikeness	2.5511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.39394
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	10
StereoCon

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