[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-iodobenzoate

Formula:C15H12N3O4I Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-iodobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-iodobenzoate
MolecularFormula	C15H12N3O4I
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(cccc1)c1I)=O
InChI	InChI=1S/C15H12IN3O4/c16-13-4-2-1-3-12(13)15(20)23-18-14(17)9-10-5-7-11(8-6-10)19(21)22/h1-8H,9H2,(H2,17,18)
InChIK	JYKDEHJIJFWXCL-UHFFFAOYSA-N
TotalMolweight	425.177
Molweight	425.177
MonoisotopicMass	424.987255
CLogP	2.5857
CLogS	-4.977
H Acceptors	7
H Donors	1
TotalSurfaceArea	255.97
Relative PSA	0.31347
PolarSurfaceArea	110.5
Druglikeness	-7.2494
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-iodobenzoate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-iodobenzoate

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