Molecule

ID:62421

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-8(7(11)9-2)3-5-10-6-4-8;/h10H,3-6H2,1-2H3,(H,9,11);1H
InChIKey
OWCMSMCNAMXXNK-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1(C)CCNCC1.Cl
Isomeric Smiles
C(=O)(C1(CCNCC1)C)NC.Cl
Calculated Properties
JChem
Acid pKa
16.293964
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3719382
LogD (pH = 7.4)
-2.7673461
Log P
-0.14702007
Molar Refractivity
44.2952
Polarizability
17.470844
Polar Surface Area
41.13
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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