Molecule

ID:48980

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇ClN₂O
Molecular Mass
274.82998
Exact Mass
274.18119117
Charge
0
InChI
InChI=1S/C14H26N2O.ClH/c1-2-16(13-8-4-3-5-9-13)14(17)12-7-6-10-15-11-12;/h12-13,15H,2-11H2,1H3;1H
InChIKey
FCGJXLHFYBBFRJ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCNC1)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3533688
LogD (pH = 7.4)
-0.33492988
Log P
1.8326277
Molar Refractivity
70.2997
Polarizability
27.793371
Polar Surface Area
32.34
Rotatable Bonds
3
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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