1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea

Formula:C13H11N6O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea is a drug-like molecule.

MolName	1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea
MolecularFormula	C13H11N6O2F3
Smiles	N/C(/c1nccnc1)=N/NC(Nc(cc1)ccc1OC(F)(F)F)=O
InChI	InChI=1S/C13H11F3N6O2/c14-13(15,16)24-9-3-1-8(2-4-9)20-12(23)22-21-11(17)10-7-18-5-6-19-10/h1-7H,(H2,17,21)(H2,20,22,23)
InChIK	RXPGGALMSZDLML-UHFFFAOYSA-N
TotalMolweight	340.264
Molweight	340.264
MonoisotopicMass	340.089558
CLogP	1.5007
CLogS	-3.459
H Acceptors	8
H Donors	3
TotalSurfaceArea	242.16
Relative PSA	0.39098
PolarSurfaceArea	114.52
Druglikeness	-5.6503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea | 2 - 1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea

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