Molecule

ID:47765

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-3-4-9-13(2)11-7-5-10(12)6-8-11/h5-8H,3-4,9,12H2,1-2H3
InChIKey
YEMIAPOPTRUFTL-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cc1)N)C
Isomeric Smiles
c1(N(CCCC)C)ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.843927
LogD (pH = 7.4)
2.343985
Log P
2.5762627
Molar Refractivity
59.0606
Polarizability
21.84266
Polar Surface Area
29.26
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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