[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 4-chlorobenzoate

Formula:C12H8N4O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 4-chlorobenzoate
MolecularFormula	C12H8N4O2Cl2
Smiles	N/C(/c1nccnc1Cl)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C12H8Cl2N4O2/c13-8-3-1-7(2-4-8)12(19)20-18-11(15)9-10(14)17-6-5-16-9/h1-6H,(H2,15,18)
InChIK	PIKMIRCKHCGMPT-UHFFFAOYSA-N
TotalMolweight	311.128
Molweight	311.128
MonoisotopicMass	310.00243
CLogP	2.4337
CLogS	-3.205
H Acceptors	6
H Donors	1
TotalSurfaceArea	220.62
Relative PSA	0.32527
PolarSurfaceArea	90.46
Druglikeness	-2.6601
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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