Nombre: 5-nitro-2,3-dimethyl-1,4,4a,9a-tetrahydroanthraquinone
SMILES:
CC1=C(C)CC2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)C2C1Molecular Processing
Molecular formula
C16H15NO4
Molecular weight
285.3
Exact mass
285.1001
XLogP
3.34
TPSA
77.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
76.35
Supplementary Information
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