Molecule
ID:24281
General Information
Molecular Formula
C₇H₁₈N₂O
Molecular Mass
146.23062
Exact Mass
146.14191321
Charge
0
InChI
InChI=1S/C7H18N2O/c1-10-7-3-6-9-5-2-4-8/h9H,2-8H2,1H3
InChIKey
LLRMJSJSADDGPK-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCCN
Isomeric Smiles
N(CCCOC)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.765459
LogD (pH = 7.4)
-4.852493
Log P
-0.91691834
Molar Refractivity
43.4175
Polarizability
17.369604
Polar Surface Area
47.28
Rotatable Bonds
7
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
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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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