이름: erlotinib hydrochloride
SMILES:
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.ClMolecular Processing
Molecular formula
C22H24ClN3O4
Molecular weight
429.9
Exact mass
429.1455
XLogP
3.83
TPSA
74.73
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
119.19
Supplementary Information
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