Molecule

ID:65239

General Information
Structure
Molecular Formula
C₁₄H₂₆N₂O₂
Molecular Mass
254.36844
Exact Mass
254.19942808
Charge
0
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKey
YLKHACHFJMCIRE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)CCNCC2)OC(C)(C)C
Isomeric Smiles
C12(CCNCC1)CCN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.843141
LogD (pH = 7.4)
-1.3699429
Log P
1.3878027
Molar Refractivity
72.0844
Polarizability
28.48516
Polar Surface Area
41.57
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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