[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-bromobenzoate

Formula:C13H10N3O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(pyridin-2-yl)methylidene]amino] 4-bromobenzoate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-bromobenzoate
MolecularFormula	C13H10N3O2Br
Smiles	N/C(/c1ncccc1)=N/OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C13H10BrN3O2/c14-10-6-4-9(5-7-10)13(18)19-17-12(15)11-3-1-2-8-16-11/h1-8H,(H2,15,17)
InChIK	SIWNKRVBNQDAIB-UHFFFAOYSA-N
TotalMolweight	320.145
Molweight	320.145
MonoisotopicMass	318.995638
CLogP	2.8504
CLogS	-3.599
H Acceptors	5
H Donors	1
TotalSurfaceArea	209.65
Relative PSA	0.28996
PolarSurfaceArea	77.57
Druglikeness	-4.544
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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