Molecule

ID:57524

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3
InChIKey
PMULDAJCNKLGCN-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCCCO1
Isomeric Smiles
O1C(CNC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5375953
LogD (pH = 7.4)
-1.6982005
Log P
0.6702792
Molar Refractivity
37.5491
Polarizability
15.112169
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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