Molecule

ID:30158

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-4-6-10(11,7-5-2)8-9-12-3/h4-5H,1-2,6-9,11H2,3H3
InChIKey
WWXDWBZONUMYOE-UHFFFAOYSA-N
Canonic Smiles
COCCC(CC=C)(CC=C)N
Isomeric Smiles
C(N)(CCOC)(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6184154
LogD (pH = 7.4)
-1.3915164
Log P
1.4108832
Molar Refractivity
53.2229
Polarizability
20.909613
Polar Surface Area
35.25
Rotatable Bonds
7
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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