Molecule

ID:70654

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₂O
Molecular Mass
171.25996
Exact Mass
171.14973824
Charge
0
InChI
InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
InChIKey
XUXUHDYTLNCYQQ-UHFFFAOYSA-N
Canonic Smiles
NC1CC(C)(C)N(C(C1)(C)C)[O]
Isomeric Smiles
N1(C(CC(CC1(C)C)N)(C)C)[O]
Calculated Properties
JChem
LogD (pH = 7.4)
-2.38
LogD (pH = 5.5)
-2.90
Log P
0.12
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.04
Polar Surface Area
29.26
Polarizability
19.83
Molar Refractivity
48.83
LOG S
-1.68
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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