[(E)-[amino-(3-pyrrol-1-ylphenyl)methylidene]amino] 2-chloroacetate

Formula:C13H12N3O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[amino-(3-pyrrol-1-ylphenyl)methylidene]amino] 2-chloroacetate is a drug-like molecule.

MolName	[(E)-[amino-(3-pyrrol-1-ylphenyl)methylidene]amino] 2-chloroacetate
MolecularFormula	C13H12N3O2Cl
Smiles	N/C(/c1cc(-n2cccc2)ccc1)=N/OC(CCl)=O
InChI	InChI=1S/C13H12ClN3O2/c14-9-12(18)19-16-13(15)10-4-3-5-11(8-10)17-6-1-2-7-17/h1-8H,9H2,(H2,15,16)
InChIK	ARVKPHSIAHYQKV-UHFFFAOYSA-N
TotalMolweight	277.71
Molweight	277.71
MonoisotopicMass	277.061804
CLogP	2.0425
CLogS	-5.08
H Acceptors	5
H Donors	1
TotalSurfaceArea	210.64
Relative PSA	0.26913
PolarSurfaceArea	69.61
Druglikeness	-2.7405
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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