Molecule

ID:30863

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-11(2)9(8-10)4-6-12(3)7-5-9/h4-8,10H2,1-3H3
InChIKey
YLOZCKVJAIJJEJ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCN(CC1)C)N(C)C
Isomeric Smiles
C1(CCN(CC1)C)(N(C)C)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.954135
LogD (pH = 7.4)
-4.625096
Log P
-0.6562395
Molar Refractivity
53.2786
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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