[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate

Formula:C13H8N4O2ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
MolecularFormula	C13H8N4O2ClF3
Smiles	N/C(/c1nccnc1Cl)=N/OC(c1cc(C(F)(F)F)ccc1)=O
InChI	InChI=1S/C13H8ClF3N4O2/c14-10-9(19-4-5-20-10)11(18)21-23-12(22)7-2-1-3-8(6-7)13(15,16)17/h1-6H,(H2,18,21)
InChIK	XIQUNKZIOJIDBI-UHFFFAOYSA-N
TotalMolweight	344.68
Molweight	344.68
MonoisotopicMass	344.028787
CLogP	2.676
CLogS	-3.247
H Acceptors	6
H Donors	1
TotalSurfaceArea	234.66
Relative PSA	0.3058
PolarSurfaceArea	90.46
Druglikeness	-9.8501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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