Molecule

ID:35665

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c13-6-11-14-9-4-12(5-10-14)15-7-2-1-3-8-15/h12H,1-11,13H2
InChIKey
VWRTWSXDVXJWDX-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCC(CC1)N1CCCCC1
Isomeric Smiles
N1(C2CCN(CC2)CCN)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.2321305
LogD (pH = 7.4)
-4.4768076
Log P
0.2703579
Molar Refractivity
65.531
Polarizability
25.977915
Polar Surface Area
32.5
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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