1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-thiophen-3-ylethenyl]urea

Formula:C15H10N2OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-thiophen-3-ylethenyl]urea is a drug-like molecule.

MolName	1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-thiophen-3-ylethenyl]urea
MolecularFormula	C15H10N2OF6S
Smiles	O=C(N/C=C/c1cscc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C15H10F6N2OS/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)23-13(24)22-3-1-9-2-4-25-8-9/h1-8H,(H2,22,23,24)
InChIK	JVYDCQNMMULBIL-UHFFFAOYSA-N
TotalMolweight	380.311
Molweight	380.311
MonoisotopicMass	380.041801
CLogP	4.304
CLogS	-5.615
H Acceptors	3
H Donors	2
TotalSurfaceArea	255.05
Relative PSA	0.22082
PolarSurfaceArea	69.37
Druglikeness	-6.1458
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	8
Amides	2
StereoCon

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