Название: 4-chloro-6-methoxy-7-(3-pyrrolidinopropoxy)cinnoline hydrochloride
SMILES:
COc1cc2c(Cl)cnnc2cc1OCCCN1CCCC1.ClMolecular Processing
Molecular formula
C16H21Cl2N3O2
Molecular weight
358.27
Exact mass
357.1011
XLogP
3.58
TPSA
47.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
94.13
Supplementary Information
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