Molecule

ID:13579

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇N₃
Molecular Mass
213.36288
Exact Mass
213.22049788
Charge
0
InChI
InChI=1S/C12H27N3/c1-4-15(5-2)11-8-13-12-6-9-14(3)10-7-12/h12-13H,4-11H2,1-3H3
InChIKey
GCBYFXPUGDYLPV-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC1CCN(CC1)C)CC
Isomeric Smiles
C1N(CCC(C1)NCCN(CC)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0781374
LogD (pH = 7.4)
-3.0920212
Log P
0.5661881
Molar Refractivity
67.6608
Polarizability
26.71709
Polar Surface Area
18.51
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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