3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C21H15N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H15N3O7
Smiles	[O-][N+](c1ccc(/C=C(\C(Nc2cc(C(O)=O)ccc2)=O)/NC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C21H15N3O7/c25-19(22-15-4-1-3-14(12-15)21(27)28)17(23-20(26)18-5-2-10-31-18)11-13-6-8-16(9-7-13)24(29)30/h1-12H,(H,22,25)(H,23,26)(H,27,28)
InChIK	WYPHQICWPKGEEZ-UHFFFAOYSA-N
TotalMolweight	421.364
Molweight	421.364
MonoisotopicMass	421.091002
CLogP	2.176
CLogS	-5.028
H Acceptors	10
H Donors	3
TotalSurfaceArea	313.37
Relative PSA	0.38188
PolarSurfaceArea	154.46
Druglikeness	-2.1526
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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