[(E)-[amino(pyridin-4-yl)methylidene]amino] 5-bromo-2-chlorobenzoate

Formula:C13H9N3O2BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(pyridin-4-yl)methylidene]amino] 5-bromo-2-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 5-bromo-2-chlorobenzoate
MolecularFormula	C13H9N3O2BrCl
Smiles	N/C(/c1ccncc1)=N/OC(c(cc(cc1)Br)c1Cl)=O
InChI	InChI=1S/C13H9BrClN3O2/c14-9-1-2-11(15)10(7-9)13(19)20-18-12(16)8-3-5-17-6-4-8/h1-7H,(H2,16,18)
InChIK	NIZVULFNGVWBRV-UHFFFAOYSA-N
TotalMolweight	354.59
Molweight	354.59
MonoisotopicMass	352.956665
CLogP	3.4024
CLogS	-4.311
H Acceptors	5
H Donors	1
TotalSurfaceArea	225.07
Relative PSA	0.27009
PolarSurfaceArea	77.57
Druglikeness	-4.4501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
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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