Molecule

ID:84833

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃
Molecular Mass
227.30488
Exact Mass
227.14224756
Charge
0
InChI
InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
InChIKey
XYBLCORUTWKJOI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N2CCNCC2)c2c(n1)cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)N1CCNCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9228487
LogD (pH = 7.4)
-0.763653
Log P
1.8343861
Molar Refractivity
69.7548
Polarizability
28.074211
Polar Surface Area
28.16
Rotatable Bonds
1
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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