Molecule

ID:92258

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c1-9-3-2-4-10(12-9)13-7-5-11-6-8-13/h2-4,11H,5-8H2,1H3
InChIKey
VOSMEFSBAHULFT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)N1CCNCC1
Isomeric Smiles
N1(c2cccc(n2)C)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1711566
LogD (pH = 7.4)
-0.35790393
Log P
1.0535166
Molar Refractivity
53.9901
Polarizability
20.501102
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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