Molecule

ID:48444

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N₃
Molecular Mass
207.31524
Exact Mass
207.17354769
Charge
0
InChI
InChI=1S/C12H21N3/c1-3-8-15(9-4-2)12-11(10-13)6-5-7-14-12/h5-7H,3-4,8-10,13H2,1-2H3
InChIKey
MMYQJYXBVRUVDC-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ncccc1CN)CCC
Isomeric Smiles
c1(c(CN)cccn1)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5216581
LogD (pH = 7.4)
0.99467546
Log P
2.342504
Molar Refractivity
65.6618
Polarizability
25.001514
Polar Surface Area
42.15
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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