Molecule

ID:38156

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c1-9-6-7(8)4-2-3-5-7;/h2-6,8H2,1H3;1H
InChIKey
ZWKWORCOCGGZHQ-UHFFFAOYSA-N
Canonic Smiles
COCC1(N)CCCC1.Cl
Isomeric Smiles
C1CCC(C1)(COC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4132378
LogD (pH = 7.4)
-1.8748187
Log P
0.6060362
Molar Refractivity
37.2651
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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