2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-4-sulfobenzoic acid

Formula:C25H18N2O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-4-sulfobenzoic acid is a drug-like molecule.

MolName	2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-4-sulfobenzoic acid
MolecularFormula	C25H18N2O6S
Smiles	OC(c(ccc(S(O)(=O)=O)c1)c1N(C1=O)C(c2ccccc2)=N/C1=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C25H18N2O6S/c28-24-21(13-7-10-17-8-3-1-4-9-17)26-23(18-11-5-2-6-12-18)27(24)22-16-19(34(31,32)33)14-15-20(22)25(29)30/h1-16H,(H,29,30)(H,31,32,33)
InChIK	FFYFHLBMPYXMQY-UHFFFAOYSA-N
TotalMolweight	474.492
Molweight	474.492
MonoisotopicMass	474.088558
CLogP	2.0498
CLogS	-4.197
H Acceptors	8
H Donors	2
TotalSurfaceArea	340.54
Relative PSA	0.28167
PolarSurfaceArea	132.72
Druglikeness	-1.8789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	5
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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