2,6-bis[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid

Formula:C15H12N2O8 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2,6-bis[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2,6-bis[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
MolecularFormula	C15H12N2O8
Smiles	OC(/C=C/C(Nc1cccc(NC(/C=C/C(O)=O)=O)c1C(O)=O)=O)=O
InChI	InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)
InChIK	AEFXZQBYWHGBOY-UHFFFAOYSA-N
TotalMolweight	348.266
Molweight	348.266
MonoisotopicMass	348.059368
CLogP	-0.6873
CLogS	-1.887
H Acceptors	10
H Donors	5
TotalSurfaceArea	256.98
Relative PSA	0.49584
PolarSurfaceArea	170.1
Druglikeness	1.1378
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	10
Amides	2
AcidicOxygens	3
StereoCon

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