Molecule

ID:34318

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
InChIKey
BREHWAOTQHCZJW-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCC1CCNCC1
Isomeric Smiles
N1(CCN(CC1)CCC1CCNCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.959627
LogD (pH = 7.4)
-3.9414544
Log P
0.50826293
Molar Refractivity
65.6906
Polarizability
25.977915
Polar Surface Area
18.51
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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