N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2H-tetrazol-5-amine
Formula:C12H15N7Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C12H15N7Cl2 |
| Smiles | ClCCN(CCCl)c1ccc(/C=N\Nc2n[nH]nn2)cc1 |
| InChI | InChI=1S/C12H15Cl2N7/c13-5-7-21(8-6-14)11-3-1-10(2-4-11)9-15-16-12-17-19-20-18-12/h1-4,9H,5-8H2,(H2,16,17,18,19,20) |
| InChIK | HZWBGDURIKHRQS-UHFFFAOYSA-N |
| TotalMolweight | 328.206 |
| Molweight | 328.206 |
| MonoisotopicMass | 327.076597 |
| CLogP | 4.0014 |
| CLogS | -3.995 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 251.27 |
| Relative PSA | 0.2922 |
| PolarSurfaceArea | 82.09 |
| Druglikeness | 1.7548 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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