N'-(benzenesulfonyl)-2,2,2-trichloro-N-phenylethanimidamide

Formula:C14H11N2O2Cl3S Mutagenic:high Tumorigenic:low Reproductive Effective:high N'-(benzenesulfonyl)-2,2,2-trichloro-N-phenylethanimidamide is a drug-like molecule.

MolNameN'-(benzenesulfonyl)-2,2,2-trichloro-N-phenylethanimidamide
MolecularFormulaC14H11N2O2Cl3S
SmilesO=S(c1ccccc1)(/N=C(/C(Cl)(Cl)Cl)\Nc1ccccc1)=O
InChIInChI=1S/C14H11Cl3N2O2S/c15-14(16,17)13(18-11-7-3-1-4-8-11)19-22(20,21)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKIKNGBFBUGGMHTC-UHFFFAOYSA-N
TotalMolweight377.678
Molweight377.678
MonoisotopicMass375.960679
CLogP4.0104
CLogS-4.251
H Acceptors4
H Donors1
TotalSurfaceArea252.7
Relative PSA0.204
PolarSurfaceArea66.91
Druglikeness-7.7422
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms7
BasicNitrogens1
StereoCon

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