1-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(3,4-dichlorophenyl)urea
Formula:C15H11N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(3,4-dichlorophenyl)urea is a drug-like molecule.
| MolName | 1-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(3,4-dichlorophenyl)urea |
| MolecularFormula | C15H11N5O2Cl2 |
| Smiles | N/C(/NC(Nc(cc1)cc(Cl)c1Cl)=O)=N/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C15H11Cl2N5O2/c16-9-6-5-8(7-10(9)17)19-14(23)21-13(18)22-15-20-11-3-1-2-4-12(11)24-15/h1-7H,(H4,18,19,20,21,22,23) |
| InChIK | QPUDDHJULUIPOB-UHFFFAOYSA-N |
| TotalMolweight | 364.191 |
| Molweight | 364.191 |
| MonoisotopicMass | 363.028979 |
| CLogP | 3.5603 |
| CLogS | -6.488 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 259.07 |
| Relative PSA | 0.33898 |
| PolarSurfaceArea | 105.54 |
| Druglikeness | 0.58134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(3,4-dichlorophenyl)urea | 2 - 1-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(3,4-dichlorophenyl)urea
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