Название: [(1S,2S,4R)-4-carbamoyl-2-methoxycyclopentyl] nitrate
SMILES:
COC1CC(CC1O[N+](=O)[O-])C(=O)NMolecular Processing
Molecular formula
C7H12N2O5
Molecular weight
204.18
Exact mass
204.0746
XLogP
-0.53
TPSA
104.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
44.58
Supplementary Information
InChIKey: UKFLULOKRWPLSR-SRQIZXRXSA-N
Синонимы
SCHEMBL2413228UKFLULOKRWPLSR-SRQIZXRXSA-N(1S,2S,4R)-4-carbamoyl-2-methoxycyclopentyl nitrate
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