N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
Formula:C26H24N4OCl2I2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide |
| MolecularFormula | C26H24N4OCl2I2 |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C26H24Cl2I2N4O/c27-10-13-33(14-11-28)21-5-1-18(2-6-21)17-31-32-26(35)9-12-34-24-7-3-19(29)15-22(24)23-16-20(30)4-8-25(23)34/h1-8,15-17H,9-14H2,(H,32,35) |
| InChIK | CQZUZCVDWRDVDS-UHFFFAOYSA-N |
| TotalMolweight | 733.21 |
| Molweight | 733.21 |
| MonoisotopicMass | 731.941661 |
| CLogP | 6.6815 |
| CLogS | -8.617 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 421.65 |
| Relative PSA | 0.11012 |
| PolarSurfaceArea | 49.63 |
| Druglikeness | 7.8725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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