Molecule

ID:129137

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂
Molecular Mass
244.37516
Exact Mass
244.19394878
Charge
0
InChI
InChI=1S/C16H24N2/c1-4-10-18(13(2)3)11-9-14-12-17-16-8-6-5-7-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKey
OFXPLOPRCQJJFP-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(C)C)CCc1c[nH]c2c1cccc2
Isomeric Smiles
CC(C)N(CCC)CCc1c[nH]c2ccccc12
Calculated Properties
JChem
Acid pKa
17.16457
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4642027
LogD (pH = 7.4)
0.9308008
Log P
3.9547791
Molar Refractivity
78.8822
Polarizability
31.851603
Polar Surface Area
19.03
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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