Molecule

ID:74656

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChIKey
BZMADPOGYCRPAI-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCOCC1
Isomeric Smiles
O1CCC(CC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8608718
LogD (pH = 7.4)
-2.4360702
Log P
0.16294292
Molar Refractivity
37.8903
Polarizability
15.112169
Polar Surface Area
35.25
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
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Molecule Details
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References
Bioactivity
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