3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoic acid

Formula:C21H20O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoic acid is not a drug-like molecule.

MolName	3-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoic acid
MolecularFormula	C21H20O2
Smiles	OC(CCc1ccc(/C=C/C=C/C=C/c2ccccc2)cc1)=O
InChI	InChI=1S/C21H20O2/c22-21(23)17-16-20-14-12-19(13-15-20)11-5-2-1-4-8-18-9-6-3-7-10-18/h1-15H,16-17H2,(H,22,23)
InChIK	SINKVNIAFSCCOS-UHFFFAOYSA-N
TotalMolweight	304.388
Molweight	304.388
MonoisotopicMass	304.14633
CLogP	5.1174
CLogS	-4.624
H Acceptors	2
H Donors	1
TotalSurfaceArea	264.14
Relative PSA	0.098963
PolarSurfaceArea	37.3
Druglikeness	-1.7912
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.78261
Fragments	1
Non HAtoms	23
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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