CCOC(=O)Nc1cc(NCC(C)C)c([N+](=O)[O-])cc1F
名称: N-(2-methylpropyl)-3-ethoxycarbonylamino-4-fluoro-6-nitroaniline
SMILES: CCOC(=O)Nc1cc(NCC(C)C)c([N+](=O)[O-])cc1F

Molecular Processing

Molecular formula
C13H18FN3O4
Molecular weight
299.3
Exact mass
299.1281
XLogP
3.37
TPSA
93.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.03

Supplementary Information

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