Molecule

ID:35844

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c1-14-9-4-12(5-10-14)13-6-11-15-7-2-3-8-15/h12-13H,2-11H2,1H3
InChIKey
QVTJRYACYCRZMX-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCCN1CCCC1
Isomeric Smiles
N1(CCC(CC1)NCCN1CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0809765
LogD (pH = 7.4)
-3.0950062
Log P
0.25836965
Molar Refractivity
65.7046
Polarizability
25.977915
Polar Surface Area
18.51
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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