Molecule

ID:48835

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₇ClN₂O
Molecular Mass
262.81928
Exact Mass
262.18119117
Charge
0
InChI
InChI=1S/C13H26N2O.ClH/c1-4-15(11-8-6-5-7-9-11)13(16)12(14)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
InChIKey
FMENVRGFNCPWEU-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(C(C)C)N)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6138876
LogD (pH = 7.4)
0.97088367
Log P
2.1052718
Molar Refractivity
66.8713
Polarizability
26.681845
Polar Surface Area
46.33
Rotatable Bonds
4
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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