Molecule

ID:17750

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14;/h11,13H,1-10H2;1H
InChIKey
NQSVSTDUXRGTLX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCC1)C1CCNCC1.Cl
Isomeric Smiles
C1(C(=O)N2CCCCCC2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4104002
LogD (pH = 7.4)
-1.8259591
Log P
0.8155765
Molar Refractivity
61.4339
Polarizability
24.10781
Polar Surface Area
32.34
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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