Molecule

ID:57415

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-10(2)8-6-4-3-5-7-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKey
AWVHQKPVPFXPDJ-RKDXNWHRSA-N
Canonic Smiles
CN([C@@H]1CCCCC[C@H]1O)C
Isomeric Smiles
[C@H]1(N(C)C)[C@H](O)CCCCC1
Calculated Properties
JChem
Acid pKa
14.597936
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0728614
LogD (pH = 7.4)
-0.9746543
Log P
1.3591051
Molar Refractivity
46.9648
Polarizability
18.725828
Polar Surface Area
23.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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