Molecule

ID:57408

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h8-9,11H,1-7H2/t8-,9-/m1/s1
InChIKey
YUKHVOQROHUFMM-RKDXNWHRSA-N
Canonic Smiles
O[C@@H]1CCC[C@H]1N1CCCC1
Isomeric Smiles
N1([C@H]2[C@H](O)CCC2)CCCC1
Calculated Properties
JChem
Acid pKa
14.596994
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6023743
LogD (pH = 7.4)
-1.8962077
Log P
0.8757652
Molar Refractivity
45.3038
Polarizability
17.993933
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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