[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]urea

Formula:C16H13N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]urea is a drug-like molecule.

MolName[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]urea
MolecularFormulaC16H13N4O2Br
SmilesNC(N/N=C\c(cc1)cc(Br)c1OCc(cccc1)c1C#N)=O
InChIInChI=1S/C16H13BrN4O2/c17-14-7-11(9-20-21-16(19)22)5-6-15(14)23-10-13-4-2-1-3-12(13)8-18/h1-7,9H,10H2,(H3,19,21,22)
InChIKLPRMNHQTCXRPMX-UHFFFAOYSA-N
TotalMolweight373.209
Molweight373.209
MonoisotopicMass372.022187
CLogP3.0442
CLogS-5.762
H Acceptors6
H Donors2
TotalSurfaceArea259.61
Relative PSA0.28828
PolarSurfaceArea100.5
Druglikeness-2.1794
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Amides1
StereoCon

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