Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
名称: 8-(3(S)-aminopyrrolidinyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid hydrochloride
SMILES: Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl

Molecular Processing

Molecular formula
C18H21ClFN3O3
Molecular weight
381.84
Exact mass
381.1255
XLogP
2.28
TPSA
88.04
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
99.35

Supplementary Information

詳細情報を取得中…

2 件の反応に参加