Molecule

ID:21854

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-2-9(11-5-1)7-10-6-8-3-4-8/h8-10H,1-7H2
InChIKey
DMMCSRZAOOXDCN-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCC1CC1
Isomeric Smiles
C1CC1CNCC1OCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2176292
LogD (pH = 7.4)
-1.5947703
Log P
1.0062878
Molar Refractivity
44.8901
Polarizability
18.067194
Polar Surface Area
21.26
Rotatable Bonds
4
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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