(E)-4-(4-chlorophenyl)-4-hydroxy-4-phenylbut-2-enal

Formula:C16H13O2Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-4-(4-chlorophenyl)-4-hydroxy-4-phenylbut-2-enal is a drug-like molecule.

MolName	(E)-4-(4-chlorophenyl)-4-hydroxy-4-phenylbut-2-enal
MolecularFormula	C16H13O2Cl
Smiles	OC(/C=C/C=O)(c1ccccc1)c(cc1)ccc1Cl
InChI	InChI=1S/C16H13ClO2/c17-15-9-7-14(8-10-15)16(19,11-4-12-18)13-5-2-1-3-6-13/h1-12,19H/t16-/m0/s1
InChIK	VKEDBLZIMMSGKI-INIZCTEOSA-N
TotalMolweight	272.73
Molweight	272.73
MonoisotopicMass	272.060407
CLogP	2.8249
CLogS	-3.616
H Acceptors	2
H Donors	1
TotalSurfaceArea	211.24
Relative PSA	0.12375
PolarSurfaceArea	37.3
Druglikeness	-4.097
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon	racemate

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