CC1(C)OC(=O)Nc2ccc(-c3coc(C#N)c3)cc21
SMILES: CC1(C)OC(=O)Nc2ccc(-c3coc(C#N)c3)cc21

Molecular Processing

Molecular formula
C15H12N2O3
Molecular weight
268.27
Exact mass
268.0848
XLogP
3.62
TPSA
75.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
71.99

Supplementary Information

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