Molecule

ID:10238

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂
Molecular Mass
154.25262
Exact Mass
154.14699859
Charge
0
InChI
InChI=1S/C9H18N2/c1-11-6-4-9(5-7-11)10-8-2-3-8/h8-10H,2-7H2,1H3
InChIKey
BJWQVPXVPMEZBB-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NC1CC1
Isomeric Smiles
C1C(CCN(C1)C)NC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.696687
LogD (pH = 7.4)
-2.7191644
Log P
0.29949218
Molar Refractivity
47.3557
Polarizability
18.918522
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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