Molecule

ID:48762

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c1-8-4-7(11)9-3-2-6(10)5-9;/h6,8,10H,2-5H2,1H3;1H
InChIKey
VSLVTCJCMQWVDL-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCC(C1)O.Cl
Isomeric Smiles
N1(C(=O)CNC)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827446
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.7922616
LogD (pH = 7.4)
-3.2407668
Log P
-1.8163857
Molar Refractivity
41.2525
Polarizability
16.280312
Polar Surface Area
52.57
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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