CCC1(CC)CC=C(c2ccc(OC)cc2[N+](=O)[O-])CC1
名称: 1-(4,4-diethylcyclohex-1-enyl)-4-methoxy-2-nitrobenzene
SMILES: CCC1(CC)CC=C(c2ccc(OC)cc2[N+](=O)[O-])CC1

Molecular Processing

Molecular formula
C17H23NO3
Molecular weight
289.38
Exact mass
289.1678
XLogP
4.98
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.49

Supplementary Information

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