Molecule

ID:15750

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N₃
Molecular Mass
211.347
Exact Mass
211.20484782
Charge
0
InChI
InChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15/h11-12H,2-10,13H2,1H3
InChIKey
ADFNFTLPQOJDDG-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C1CCN(CC1)C
Isomeric Smiles
C1C(CCN(C1)C1CCN(CC1)C)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-8.206518
LogD (pH = 7.4)
-5.484089
Log P
-0.11124586
Molar Refractivity
65.639
Polarizability
25.977915
Polar Surface Area
32.5
Rotatable Bonds
2
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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