CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Br)CC1.Cl
名称: 6-bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid hydrochloride
SMILES: CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Br)CC1.Cl

Molecular Processing

Molecular formula
C17H22BrClN2O3
Molecular weight
417.73
Exact mass
416.0502
XLogP
4.3
TPSA
65.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
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
0.471
Molar refractivity
100.57

Supplementary Information

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