[4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 2-nitrobenzoate

Formula:C23H16N4O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 2-nitrobenzoate is not a drug-like molecule.

MolName	[4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 2-nitrobenzoate
MolecularFormula	C23H16N4O7S
Smiles	NS(c(cc1)ccc1NC(/C(/C#N)=C/c(cc1)ccc1OC(c(cccc1)c1[N+]([O-])=O)=O)=O)(=O)=O
InChI	InChI=1S/C23H16N4O7S/c24-14-16(22(28)26-17-7-11-19(12-8-17)35(25,32)33)13-15-5-9-18(10-6-15)34-23(29)20-3-1-2-4-21(20)27(30)31/h1-13H,(H,26,28)(H2,25,32,33)
InChIK	YDIATXZXCIROLY-UHFFFAOYSA-N
TotalMolweight	492.467
Molweight	492.467
MonoisotopicMass	492.073971
CLogP	2.2612
CLogS	-5.599
H Acceptors	11
H Donors	2
TotalSurfaceArea	356.93
Relative PSA	0.37926
PolarSurfaceArea	193.55
Druglikeness	-5.5849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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