Molecule

ID:116113

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N₃
Molecular Mass
207.31524
Exact Mass
207.17354769
Charge
0
InChI
InChI=1S/C12H21N3/c1-10(2)12-14-7-8-15(12)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKey
FUKDOUCEBAOCTG-UHFFFAOYSA-N
Canonic Smiles
CC(c1nccn1CC1CCNCC1)C
Isomeric Smiles
n1(c(ncc1)C(C)C)CC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.653203
LogD (pH = 7.4)
-1.3803749
Log P
1.5493977
Molar Refractivity
62.526
Polarizability
24.359543
Polar Surface Area
29.85
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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