Molecule

ID:90065

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇NO₅
Molecular Mass
195.21358
Exact Mass
195.11067265
Charge
0
InChI
InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
MBBZMMPHUWSWHV-BDVNFPICSA-N
Canonic Smiles
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Isomeric Smiles
OC[C@H]([C@H]([C@H](O)[C@H](CNC)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.11
LogD (pH = 5.5)
-6.49
Log P
-3.40
Rotatable Bonds
6
H Donor
6
H Acceptors
6
Lipinski's Rule of Five
false
Acid pKa
9.11
Polar Surface Area
113.18
Polarizability
19.62
Molar Refractivity
44.84
LOG S
1.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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