Molecule

ID:18684

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c1-12-5-9-15(10-6-12)11-7-13-4-2-3-8-14-13/h12-14H,2-11H2,1H3
InChIKey
PHATVJZYDAORTL-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCC1CCCCN1
Isomeric Smiles
N1(CCC2NCCCC2)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1217623
LogD (pH = 7.4)
-2.0496438
Log P
1.9332442
Molar Refractivity
66.0807
Polarizability
26.303617
Polar Surface Area
15.27
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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