Molecule

ID:35023

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c1-11-5-3-4-6-13(11)15(2)12-7-9-14-10-8-12/h11-14H,3-10H2,1-2H3
InChIKey
FIAARWJTQYTEFE-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCC1N(C1CCNCC1)C
Isomeric Smiles
N(C1C(C)CCCC1)(C1CCNCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0648646
LogD (pH = 7.4)
-2.2191107
Log P
1.998171
Molar Refractivity
65.6303
Polarizability
26.303617
Polar Surface Area
15.27
Rotatable Bonds
2
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
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References
Bioactivity
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