1-[(Z)-benzylideneamino]-3-naphthalen-1-ylurea

Formula:C18H15N3O Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[(Z)-benzylideneamino]-3-naphthalen-1-ylurea is a drug-like molecule.

MolName1-[(Z)-benzylideneamino]-3-naphthalen-1-ylurea
MolecularFormulaC18H15N3O
SmilesO=C(Nc1cccc2ccccc12)N/N=C\c1ccccc1
InChIInChI=1S/C18H15N3O/c22-18(21-19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H2,20,21,22)
InChIKMVEGRTOEVJPZFT-UHFFFAOYSA-N
TotalMolweight289.337
Molweight289.337
MonoisotopicMass289.121512
CLogP4.3899
CLogS-5.843
H Acceptors4
H Donors2
TotalSurfaceArea233.05
Relative PSA0.20369
PolarSurfaceArea53.49
Druglikeness3.7835
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Symmetricatoms2
Amides1
StereoCon

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