[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]urea
Formula:C12H16N4OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]urea |
| MolecularFormula | C12H16N4OCl2 |
| Smiles | NC(N/N=C\c(cc1)ccc1N(CCCl)CCCl)=O |
| InChI | InChI=1S/C12H16Cl2N4O/c13-5-7-18(8-6-14)11-3-1-10(2-4-11)9-16-17-12(15)19/h1-4,9H,5-8H2,(H3,15,17,19) |
| InChIK | ZOXBOZFLMAHAQY-UHFFFAOYSA-N |
| TotalMolweight | 303.192 |
| Molweight | 303.192 |
| MonoisotopicMass | 302.070115 |
| CLogP | 2.3029 |
| CLogS | -4.252 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 231.93 |
| Relative PSA | 0.23641 |
| PolarSurfaceArea | 70.72 |
| Druglikeness | 7.2347 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]urea | 2 - [(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]urea
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