[(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 2,3-dichlorobenzenesulfonate

Formula:C12H9N4O3Cl2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 2,3-dichlorobenzenesulfonate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 2,3-dichlorobenzenesulfonate
MolecularFormula	C12H9N4O3Cl2F3S
Smiles	N/C(/Cn1nc(C(F)(F)F)cc1)=N/OS(c1cccc(Cl)c1Cl)(=O)=O
InChI	InChI=1S/C12H9Cl2F3N4O3S/c13-7-2-1-3-8(11(7)14)25(22,23)24-20-10(18)6-21-5-4-9(19-21)12(15,16)17/h1-5H,6H2,(H2,18,20)
InChIK	YEOVSLWBBIIEBC-UHFFFAOYSA-N
TotalMolweight	417.194
Molweight	417.194
MonoisotopicMass	415.972449
CLogP	2.9678
CLogS	-3.117
H Acceptors	7
H Donors	1
TotalSurfaceArea	265.11
Relative PSA	0.31383
PolarSurfaceArea	107.95
Druglikeness	-7.8133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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