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C22H18N3O2Cl | Cheminformatics

[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone

Molecular Formula : C22H18N3O2Cl | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.

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 :

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