Molecule

ID:108260

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇N
Molecular Mass
209.37088
Exact Mass
209.21434987
Charge
0
InChI
InChI=1S/C14H27N/c1-5-9-10-14(8-4)13-15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-13H2,1,4H3
InChIKey
PKRVTDDDDQCHKM-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CN(CC=C)CC=C)CC
Isomeric Smiles
CCCCC(CC)CN(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.347568
LogD (pH = 7.4)
2.7715123
Log P
4.6752467
Molar Refractivity
70.4617
Polarizability
27.659636
Polar Surface Area
3.24
Rotatable Bonds
10
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
No Data Available
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Molecule Details
References
Bioactivity
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