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

Formula:C15H12N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-bromobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-bromobenzoate
MolecularFormula	C15H12N3O4Br
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C15H12BrN3O4/c16-12-5-3-11(4-6-12)15(20)23-18-14(17)9-10-1-7-13(8-2-10)19(21)22/h1-8H,9H2,(H2,17,18)
InChIK	PQAVHWXDEXXRKK-UHFFFAOYSA-N
TotalMolweight	378.181
Molweight	378.181
MonoisotopicMass	377.001118
CLogP	2.8738
CLogS	-4.795
H Acceptors	7
H Donors	1
TotalSurfaceArea	248.32
Relative PSA	0.32313
PolarSurfaceArea	110.5
Druglikeness	-9.6467
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
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	4
AcidicOxygens	1
StereoCon

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

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