Molecule

ID:35754

General Information
Structure
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c1-2-14-7-9-15(10-8-14)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKey
XOPNLLWZWMVFOT-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)CC1CCNCC1
Isomeric Smiles
N1(CC2CCNCC2)CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.094363
LogD (pH = 7.4)
-4.275983
Log P
0.49845594
Molar Refractivity
65.7612
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
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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