Molecule

ID:48951

General Information
Structure
Molecular Formula
C₁₄H₂₇ClN₂O
Molecular Mass
274.82998
Exact Mass
274.18119117
Charge
0
InChI
InChI=1S/C14H26N2O.ClH/c1-2-16(12-8-4-3-5-9-12)14(17)13-10-6-7-11-15-13;/h12-13,15H,2-11H2,1H3;1H
InChIKey
KQDWYVBILNZJDR-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCCN1)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86595124
LogD (pH = 7.4)
0.64545256
Log P
2.1439152
Molar Refractivity
70.0437
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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