[(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-chloro-4-nitrobenzoate

Formula:C14H9N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-chloro-4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-chloro-4-nitrobenzoate
MolecularFormula	C14H9N4O6Cl
Smiles	N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(c(ccc([N+]([O-])=O)c1)c1Cl)=O
InChI	InChI=1S/C14H9ClN4O6/c15-12-7-10(19(23)24)5-6-11(12)14(20)25-17-13(16)8-1-3-9(4-2-8)18(21)22/h1-7H,(H2,16,17)
InChIK	ONJLVMSVUZGMTD-UHFFFAOYSA-N
TotalMolweight	364.7
Molweight	364.7
MonoisotopicMass	364.021063
CLogP	1.8349
CLogS	-5.192
H Acceptors	10
H Donors	1
TotalSurfaceArea	255.02
Relative PSA	0.43393
PolarSurfaceArea	156.32
Druglikeness	-7.7067
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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