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

Formula:C28H20N2O7S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.

MolName	2-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]naphthalene-1,5-disulfonic acid
MolecularFormula	C28H20N2O7S2
Smiles	OS(c1c(ccc(N(C2=O)C(c3ccccc3)=N/C2=C\C=C\c2ccccc2)c2S(O)(=O)=O)c2ccc1)(=O)=O
InChI	InChI=1S/C28H20N2O7S2/c31-28-23(15-7-11-19-9-3-1-4-10-19)29-27(20-12-5-2-6-13-20)30(28)24-18-17-21-22(26(24)39(35,36)37)14-8-16-25(21)38(32,33)34/h1-18H,(H,32,33,34)(H,35,36,37)
InChIK	HDZIUJZOLAMDAF-UHFFFAOYSA-N
TotalMolweight	560.606
Molweight	560.606
MonoisotopicMass	560.071193
CLogP	1.5298
CLogS	-4.396
H Acceptors	9
H Donors	2
TotalSurfaceArea	385.97
Relative PSA	0.28878
PolarSurfaceArea	158.17
Druglikeness	-0.034978
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.4359
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	6
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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