Molecule

ID:120240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c1-2-8-14-11-12-6-5-10-15-9-4-3-7-13(12)15/h12-14H,2-11H2,1H3/t12-,13+/m0/s1
InChIKey
ZFTMSBRKTZIYBZ-QWHCGFSZSA-N
Canonic Smiles
CCCNC[C@@H]1CCCN2[C@@H]1CCCC2
Isomeric Smiles
N12[C@@H]([C@H](CNCCC)CCC1)CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4858477
LogD (pH = 7.4)
-1.5369267
Log P
2.1255486
Molar Refractivity
65.9485
Polarizability
26.303617
Polar Surface Area
15.27
Rotatable Bonds
4
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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