이름: 6(R),10-dimethyl-undecan-2-yn-4(R)-ol 3,5-dinitrobenzoate
SMILES:
CC#C[C@@H](C[C@H](C)CCCC(C)C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C20H26N2O6
Molecular weight
390.44
Exact mass
390.1791
XLogP
4.9
TPSA
112.58
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
104.87
Supplementary Information
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