이름: 1-(6-Chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)-2-(pyridin-4-yl)propan-2-ol
SMILES:
CN1CCc2c(c3cccc(Cl)c3n2CC(C)(O)c2ccncc2)C1Molecular Processing
Molecular formula
C20H22ClN3O
Molecular weight
355.87
Exact mass
355.1451
XLogP
3.59
TPSA
41.29
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.79
Supplementary Information
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