Molecule

ID:80974

General Information
Structure
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Molecular Formula
C₉H₂₂N₂O
Molecular Mass
174.28378
Exact Mass
174.17321333
Charge
0
InChI
InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3
InChIKey
HXRAMSFGUAOAJR-UHFFFAOYSA-N
Canonic Smiles
CN(C(N(C)C)OC(C)(C)C)C
Isomeric Smiles
O(C(C)(C)C)C(N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7030432
LogD (pH = 7.4)
1.9249332
Log P
1.9286413
Molar Refractivity
53.0952
Polarizability
21.058195
Polar Surface Area
15.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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