이름: 2-methyl-8-fluoro-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid n-propyl ester
SMILES:
CCCOC(=O)C1=CNC(C)Cc2c1[nH]c1cc(F)ccc21Molecular Processing
Molecular formula
C17H19FN2O2
Molecular weight
302.35
Exact mass
302.1431
XLogP
3.14
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
83.79
Supplementary Information
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