Molecule

ID:21853

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-2-8-6-7-4-3-5-9-7/h7-8H,2-6H2,1H3
InChIKey
HLSDMLXXPIEJFI-UHFFFAOYSA-N
Canonic Smiles
CCNCC1CCCO1
Isomeric Smiles
O1C(CNCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.631027
LogD (pH = 7.4)
-1.8556027
Log P
0.5825185
Molar Refractivity
37.6967
Polarizability
15.112169
Polar Surface Area
21.26
Rotatable Bonds
3
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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