Molecule

ID:92467

General Information
Structure
Molecular Formula
C₉H₁₈N₂
Molecular Mass
154.25262
Exact Mass
154.14699859
Charge
0
InChI
InChI=1S/C9H18N2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-6H2,1-4H3
InChIKey
GULJGLVMSVZIPC-UHFFFAOYSA-N
Canonic Smiles
CCC(N=C=NC(CC)C)C
Isomeric Smiles
N(=C=NC(C)CC)C(C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7840388
LogD (pH = 7.4)
2.78551
Log P
2.785529
Molar Refractivity
47.6748
Polarizability
18.457964
Polar Surface Area
24.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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