[(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C16H15N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-3-(4-chlorophenyl)sulfanylpropylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C16H15N3O2Cl2S |
| Smiles | N/C(/CCSc(cc1)ccc1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H15Cl2N3O2S/c17-11-1-5-13(6-2-11)20-16(22)23-21-15(19)9-10-24-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H2,19,21)(H,20,22) |
| InChIK | UUZHVNSGMHRYQD-UHFFFAOYSA-N |
| TotalMolweight | 384.286 |
| Molweight | 384.286 |
| MonoisotopicMass | 383.026201 |
| CLogP | 4.9452 |
| CLogS | -6.336 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.57 |
| Relative PSA | 0.28175 |
| PolarSurfaceArea | 102.01 |
| Druglikeness | -6.4702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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