Molecule

ID:71471

General Information
Structure
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-6,9H2
InChIKey
WWDKVICMJWBJKJ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)CO
Isomeric Smiles
C1CC(CCC1CN)CO
Calculated Properties
JChem
Acid pKa
17.643053
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6071708
LogD (pH = 7.4)
-2.196256
Log P
0.4171186
Molar Refractivity
42.0641
Polarizability
16.88203
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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