COc1nn(-c2ccc(N3CCCC3=O)c(C)c2)c(=O)o1
SMILES: COc1nn(-c2ccc(N3CCCC3=O)c(C)c2)c(=O)o1

Molecular Processing

Molecular formula
C14H15N3O4
Molecular weight
289.29
Exact mass
289.1063
XLogP
1.27
TPSA
77.57
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.98

Supplementary Information

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