(2E)-2-[2-[(4-chlorophenyl)methyl]cyclohexylidene]acetic acid

Formula:C15H17O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[2-[(4-chlorophenyl)methyl]cyclohexylidene]acetic acid is a drug-like molecule.

MolName	(2E)-2-[2-[(4-chlorophenyl)methyl]cyclohexylidene]acetic acid
MolecularFormula	C15H17O2Cl
Smiles	OC(/C=C1/C(Cc(cc2)ccc2Cl)CCCC1)=O
InChI	InChI=1S/C15H17ClO2/c16-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-15(17)18/h5-8,10,12H,1-4,9H2,(H,17,18)/b13-10+/t12-/m1/s1
InChIK	JVFBXISCTLDACF-GMCKNXKJSA-N
TotalMolweight	264.751
Molweight	264.751
MonoisotopicMass	264.091707
CLogP	3.7237
CLogS	-3.822
H Acceptors	2
H Donors	1
TotalSurfaceArea	205.29
Relative PSA	0.12733
PolarSurfaceArea	37.3
Druglikeness	-4.5803
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon	racemate

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