2-[2-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]benzoic acid

Formula:C29H21NO4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[2-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]benzoic acid is not a drug-like molecule.

MolName	2-[2-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]benzoic acid
MolecularFormula	C29H21NO4
Smiles	OC(c(cccc1)c1-c(cccc1)c1C(Nc1ccc(/C=C/C(c2ccccc2)=O)cc1)=O)=O
InChI	InChI=1S/C29H21NO4/c31-27(21-8-2-1-3-9-21)19-16-20-14-17-22(18-15-20)30-28(32)25-12-6-4-10-23(25)24-11-5-7-13-26(24)29(33)34/h1-19H,(H,30,32)(H,33,34)
InChIK	XNYMPHBZSUCWTP-UHFFFAOYSA-N
TotalMolweight	447.489
Molweight	447.489
MonoisotopicMass	447.147059
CLogP	5.5956
CLogS	-7.451
H Acceptors	5
H Donors	2
TotalSurfaceArea	350.1
Relative PSA	0.18189
PolarSurfaceArea	83.47
Druglikeness	1.8925
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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