CCOC(=O)CC(C)(C)C#Cc1cc([N+](=O)[O-])c(F)cc1N
Name: ethyl 5-(2-amino-4-fluoro-5-nitrophenyl)-3,3-dimethylpent-4-ynoate
SMILES: CCOC(=O)CC(C)(C)C#Cc1cc([N+](=O)[O-])c(F)cc1N

Molecular Processing

Molecular formula
C15H17FN2O4
Molecular weight
308.31
Exact mass
308.1172
XLogP
2.65
TPSA
95.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
79.38

Supplementary Information

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