Molecule

ID:38110

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c8-5-7(6-9)3-1-2-4-7/h9H,1-6,8H2
InChIKey
WUROIEARWDBJIO-UHFFFAOYSA-N
Canonic Smiles
NCC1(CO)CCCC1
Isomeric Smiles
C1CCC(C1)(CO)CN
Calculated Properties
JChem
Acid pKa
15.072175
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8506048
LogD (pH = 7.4)
-1.9464872
Log P
0.14148544
Molar Refractivity
37.2356
Polarizability
15.038956
Polar Surface Area
46.25
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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