[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate

Formula:C15H12N3O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
MolecularFormula	C15H12N3O5Br
Smiles	N/C(/c(cc1)ccc1Br)=N/OC(COc(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C15H12BrN3O5/c16-11-3-1-10(2-4-11)15(17)18-24-14(20)9-23-13-7-5-12(6-8-13)19(21)22/h1-8H,9H2,(H2,17,18)
InChIK	UJKPWWGITLYULT-UHFFFAOYSA-N
TotalMolweight	394.18
Molweight	394.18
MonoisotopicMass	392.996033
CLogP	2.4506
CLogS	-4.61
H Acceptors	8
H Donors	1
TotalSurfaceArea	258.32
Relative PSA	0.34933
PolarSurfaceArea	119.73
Druglikeness	-9.4493
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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