[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-nitrobenzoate

Formula:C15H11N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-nitrobenzoate
MolecularFormula	C15H11N3O4Cl2
Smiles	N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C15H11Cl2N3O4/c16-11-4-1-10(13(17)8-11)7-14(18)19-24-15(21)9-2-5-12(6-3-9)20(22)23/h1-6,8H,7H2,(H2,18,19)
InChIK	VVSGBLAFMVCRMF-UHFFFAOYSA-N
TotalMolweight	368.175
Molweight	368.175
MonoisotopicMass	367.012661
CLogP	3.3606
CLogS	-5.433
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.53
Relative PSA	0.30799
PolarSurfaceArea	110.5
Druglikeness	-7.7515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
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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