Molecule

ID:48558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c11-7-9-3-4-10(12-8-9)13-5-1-2-6-13/h3-4,8H,1-2,5-7,11H2
InChIKey
NVXFTULJPIFMJJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)ncc(cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0099225
LogD (pH = 7.4)
-0.8746483
Log P
0.98964065
Molar Refractivity
54.6576
Polarizability
20.574581
Polar Surface Area
42.15
Rotatable Bonds
2
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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