Molecule

ID:121419

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-4-6-10(9(2)3)11-7-5-8-12/h4,9-12H,1,5-8H2,2-3H3
InChIKey
LIYVIZSRTSCAJW-UHFFFAOYSA-N
Canonic Smiles
OCCCNC(C(C)C)CC=C
Isomeric Smiles
C(=C)CC(NCCCO)C(C)C
Calculated Properties
JChem
Acid pKa
15.933826
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7342042
LogD (pH = 7.4)
-1.3863449
Log P
1.5009606
Molar Refractivity
53.1832
Polarizability
21.069382
Polar Surface Area
32.26
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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