Molecule

ID:74089

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-7(8-10)5-3-2-4-6(7)9;/h8,10H,2-5H2,1H3;1H
InChIKey
OBEFWAUACUUBSK-UHFFFAOYSA-N
Canonic Smiles
ONC1(C)CCCCC1=O.Cl
Isomeric Smiles
O=C1CCCCC1(C)NO.Cl
Calculated Properties
JChem
Acid pKa
15.320752
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0466161
LogD (pH = 7.4)
1.0515872
Log P
1.051651
Molar Refractivity
48.3678
Polarizability
15.127212
Polar Surface Area
49.33
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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