Molecule

ID:18634

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃
Molecular Mass
167.25138
Exact Mass
167.14224756
Charge
0
InChI
InChI=1S/C9H17N3/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3-4,6,10H2,1-2H3
InChIKey
BRPFJVKASKRWNZ-UHFFFAOYSA-N
Canonic Smiles
NCCCn1ccnc1C(C)C
Isomeric Smiles
c1(n(ccn1)CCCN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.289345
LogD (pH = 7.4)
-2.1160777
Log P
0.70801467
Molar Refractivity
50.3668
Polarizability
19.560371
Polar Surface Area
43.84
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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