Molecule
ID:92252
General Information
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-2-3-6-10-7-4-9(11)5-8-10/h9,11H,2-8H2,1H3
InChIKey
RLKMOPWWGZKHOP-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCC(CC1)O
Isomeric Smiles
N1(CCCC)CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.179292
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5772643
LogD (pH = 7.4)
-1.3762684
Log P
0.83212805
Molar Refractivity
47.586
Polarizability
18.725828
Polar Surface Area
23.47
Rotatable Bonds
3
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
No Data Available
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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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