[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate

Formula:C16H9N3O4F6S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate is a drug-like molecule.

MolName	[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate
MolecularFormula	C16H9N3O4F6S
Smiles	N/C(/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(/C=C/c1csc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C16H9F6N3O4S/c17-15(18,19)10-4-9(5-11(6-10)16(20,21)22)14(23)24-29-13(26)2-1-8-3-12(25(27)28)30-7-8/h1-7H,(H2,23,24)
InChIK	XOTXVZPTZBPDSB-UHFFFAOYSA-N
TotalMolweight	453.318
Molweight	453.318
MonoisotopicMass	453.021795
CLogP	4.1503
CLogS	-5.972
H Acceptors	7
H Donors	1
TotalSurfaceArea	297.29
Relative PSA	0.33839
PolarSurfaceArea	138.74
Druglikeness	-14.902
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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