Molecule

ID:48320

General Information
Structure
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-3-4-7-13(2)10-6-5-9(11)8-12-10/h5-6,8H,3-4,7,11H2,1-2H3
InChIKey
PQDCVFJQYKDZFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cn1)N)C
Isomeric Smiles
n1c(N(CCCC)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7847828
LogD (pH = 7.4)
1.8337897
Log P
1.9530479
Molar Refractivity
57.2172
Polarizability
20.919256
Polar Surface Area
42.15
Rotatable Bonds
4
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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