N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine
Formula:C7H16N3O3Cl2P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine is a drug-like molecule.
| MolName | N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine |
| MolecularFormula | C7H16N3O3Cl2P |
| Smiles | NP(N(CCCl)CCCl)(OCCC=NO)=O |
| InChI | InChI=1S/C7H16Cl2N3O3P/c8-2-5-12(6-3-9)16(10,14)15-7-1-4-11-13/h4,13H,1-3,5-7H2,(H2,10,14)/t16-/m1/s1 |
| InChIK | GHTXIUJUEVFYHW-MRXNPFEDSA-N |
| TotalMolweight | 292.102 |
| Molweight | 292.102 |
| MonoisotopicMass | 291.030633 |
| CLogP | 0.4559 |
| CLogS | -2.478 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 210.6 |
| Relative PSA | 0.33452 |
| PolarSurfaceArea | 97.96 |
| Druglikeness | -8.8122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
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1 - N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine | 2 - N-[3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylidene]hydroxylamine
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