1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(cyclopropylmethyl)thiourea
Formula:C12H14N3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(cyclopropylmethyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(cyclopropylmethyl)thiourea |
| MolecularFormula | C12H14N3ClS |
| Smiles | S=C(NCC1CC1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C12H14ClN3S/c13-11-4-2-1-3-10(11)8-15-16-12(17)14-7-9-5-6-9/h1-4,8-9H,5-7H2,(H2,14,16,17) |
| InChIK | DHDMESILPKMDDW-UHFFFAOYSA-N |
| TotalMolweight | 267.783 |
| Molweight | 267.783 |
| MonoisotopicMass | 267.059694 |
| CLogP | 3.2139 |
| CLogS | -4.366 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 209.35 |
| Relative PSA | 0.29821 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 4.4535 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon |
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