(1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea
Molecular Formula : C18H18N6O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea is a drug-like molecule.
MolName : (1Z)-1-[benzotriazol-1-yl(morpholin-4-yl)methylidene]-3-phenylurea |
MolecularFormula : C18H18N6O2 |
Smiles : O=C(Nc1ccccc1)/N=C(\n1nnc2c1cccc2)/N1CCOCC1 |
InChI : InChI=1S/C18H18N6O2/c25-17(19-14-6-2-1-3-7-14)20-18(23-10-12-26-13-11-23)24-16-9-5-4-8-15(16)21-22-24/h1-9H,10-13H2,(H,19,25) |
InChIK : RTCDBWPUKWXQHN-UHFFFAOYSA-N |
TotalMolweight : 350.381 |
Molweight : 350.381 |
MonoisotopicMass : 350.149124 |
CLogP : 2.5039 |
CLogS : -4.132 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 268.36 |
Relative PSA : 0.29203 |
PolarSurfaceArea : 84.64 |
Druglikeness : -1.4223 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 3 |
BasicNitrogens : 1 |
StereoCon : |