Molecule

ID:48559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-3-13(4-2)10-6-5-9(7-11)8-12-10/h5-6,8H,3-4,7,11H2,1-2H3
InChIKey
OAYCTPVSIFJJOX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)CN)CC
Isomeric Smiles
n1c(N(CC)CC)ccc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7025918
LogD (pH = 7.4)
-0.5670287
Log P
1.2974591
Molar Refractivity
56.6138
Polarizability
21.309994
Polar Surface Area
42.15
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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