N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-hydroxybenzamide
Formula:C18H19N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C18H19N3O2Cl2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)ccc1N(CCCl)CCCl)=O |
| InChI | InChI=1S/C18H19Cl2N3O2/c19-9-11-23(12-10-20)15-7-5-14(6-8-15)13-21-22-18(25)16-3-1-2-4-17(16)24/h1-8,13,24H,9-12H2,(H,22,25) |
| InChIK | PHIIGVIEOZLFQB-UHFFFAOYSA-N |
| TotalMolweight | 380.274 |
| Molweight | 380.274 |
| MonoisotopicMass | 379.085431 |
| CLogP | 4.0235 |
| CLogS | -4.863 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 289.52 |
| Relative PSA | 0.18189 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 7.3328 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-hydroxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off