4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Molecular Formula : C24H19N4O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.
MolName : 4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
MolecularFormula : C24H19N4O2Cl |
Smiles : Clc(cc1)ccc1N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C24H19ClN4O2/c25-19-7-9-20(10-8-19)27-26-15-18-16-29(21-4-2-1-3-5-21)28-24(18)17-6-11-22-23(14-17)31-13-12-30-22/h1-11,14-16,27H,12-13H2 |
InChIK : QDSPNGXFMMGKJM-UHFFFAOYSA-N |
TotalMolweight : 430.894 |
Molweight : 430.894 |
MonoisotopicMass : 430.119653 |
CLogP : 6.3447 |
CLogS : -5.58 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 326.16 |
Relative PSA : 0.18644 |
PolarSurfaceArea : 60.67 |
Druglikeness : -3.326 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.51613 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 23 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 2 |
StereoCon : |
1 - 4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
2 - 4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
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