Molecule
ID:45974
General Information
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-2-3-4-5-10-8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey
REUQEQNBHSQJJZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC1CNC1
Isomeric Smiles
N1CC(C1)OCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5384597
LogD (pH = 7.4)
0.033866744
Log P
1.4168558
Molar Refractivity
41.9127
Polarizability
16.955612
Polar Surface Area
21.26
Rotatable Bonds
5
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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