[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea

Formula:C14H9N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea is a drug-like molecule.

MolName[(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea
MolecularFormulaC14H9N3OF6S
SmilesNC(N/N=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)=O
InChIInChI=1S/C14H9F6N3OS/c15-13(16,17)8-3-7(4-9(5-8)14(18,19)20)11-2-1-10(25-11)6-22-23-12(21)24/h1-6H,(H3,21,23,24)
InChIKALIFCOQPWLWPBW-UHFFFAOYSA-N
TotalMolweight381.299
Molweight381.299
MonoisotopicMass381.03705
CLogP4.5968
CLogS-6.487
H Acceptors4
H Donors2
TotalSurfaceArea250.37
Relative PSA0.28614
PolarSurfaceArea95.72
Druglikeness-1.7432
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52
Fragments1
Non HAtoms25
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Symmetricatoms8
Amides1
StereoCon

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