Molecule

ID:18655

General Information
Structure
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-9(2,8-10)12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3
InChIKey
IHYRJCIGQGABMW-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCN(CC1)C)(C)C
Isomeric Smiles
N1(C(CN)(C)C)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.5833173
LogD (pH = 7.4)
-2.896809
Log P
-0.06254307
Molar Refractivity
53.045
Polarizability
21.17821
Polar Surface Area
32.5
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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