Molecule

ID:70479

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-5-6(8)3-1-2-4-6;/h8H,1-5,7H2;1H
InChIKey
VOANFOSYSMOKJZ-UHFFFAOYSA-N
Canonic Smiles
NCC1(O)CCCC1.Cl
Isomeric Smiles
C1(CCCC1)(O)CN.Cl
Calculated Properties
JChem
Acid pKa
14.429645
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0375881
LogD (pH = 7.4)
-2.2152405
Log P
-0.037090298
Molar Refractivity
32.5139
Polarizability
13.196873
Polar Surface Area
46.25
Rotatable Bonds
1
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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