2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid

Formula:C21H14N2O7S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid is a drug-like molecule.

MolName	2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid
MolecularFormula	C21H14N2O7S
Smiles	OC(c(ccc(S(O)(=O)=O)c1)c1N(C1=O)C(c2ccccc2)=N/C1=C\c1ccco1)=O
InChI	InChI=1S/C21H14N2O7S/c24-20-17(11-14-7-4-10-30-14)22-19(13-5-2-1-3-6-13)23(20)18-12-15(31(27,28)29)8-9-16(18)21(25)26/h1-12H,(H,25,26)(H,27,28,29)
InChIK	CRARNOSUDMXYQX-UHFFFAOYSA-N
TotalMolweight	438.415
Molweight	438.415
MonoisotopicMass	438.052173
CLogP	0.5819
CLogS	-3.567
H Acceptors	9
H Donors	2
TotalSurfaceArea	303.73
Relative PSA	0.36226
PolarSurfaceArea	145.86
Druglikeness	0.91394
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.3871
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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