MolName : [1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone |
MolecularFormula : C22H18N3O2Cl |
Smiles : O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)N1CCOCC1 |
InChI : InChI=1S/C22H18ClN3O2/c23-17-7-3-1-6-15(17)20-21-16(14-5-2-4-8-18(14)24-21)13-19(25-20)22(27)26-9-11-28-12-10-26/h1-8,13,24H,9-12H2 |
InChIK : RQGXCLVRVVJZFC-UHFFFAOYSA-N |
TotalMolweight : 391.857 |
Molweight : 391.857 |
MonoisotopicMass : 391.108754 |
CLogP : 4.0995 |
CLogS : -5.095 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 285.56 |
Relative PSA : 0.18052 |
PolarSurfaceArea : 58.22 |
Druglikeness : 2.9642 |
Mutagenic : low |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.42857 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 19 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 2 |
StereoCon : |