Molecule

ID:48716

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c8-5-7(11)9-3-1-6(10)2-4-9;/h6,10H,1-5,8H2;1H
InChIKey
NUUMACPAZNBPKN-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCC(CC1)O.Cl
Isomeric Smiles
N1(C(=O)CN)CCC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.6769342
LogD (pH = 7.4)
-2.992851
Log P
-2.1890063
Molar Refractivity
41.3433
Polarizability
16.280312
Polar Surface Area
66.56
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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