Molecule

ID:51208

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-2-10-9(13)11-7-3-5-8(12)6-4-7/h7-8,12H,2-6H2,1H3,(H2,10,11,13)/t7-,8-
InChIKey
BDIMVNHBVCPOFN-ZKCHVHJHSA-N
Canonic Smiles
CCNC(=O)N[C@@H]1CC[C@H](CC1)O
Isomeric Smiles
N(C(=O)N[C@@H]1CC[C@H](CC1)O)CC
Calculated Properties
JChem
Acid pKa
14.980195
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.14712194
LogD (pH = 7.4)
-0.14712179
Log P
-0.14712177
Molar Refractivity
50.3683
Polarizability
19.568089
Polar Surface Area
61.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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