Molecule

ID:68402

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O
Molecular Mass
238.36904
Exact Mass
238.20451346
Charge
0
InChI
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
InChIKey
UPZBXVBPICTBDP-TUAOUCFPSA-N
Canonic Smiles
O=C([C@H]1NC[C@@H]2[C@H](C1)CCCC2)NC(C)(C)C
Isomeric Smiles
C1N[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.833718
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1776088
LogD (pH = 7.4)
0.23290724
Log P
1.8955237
Molar Refractivity
69.6098
Polarizability
27.793371
Polar Surface Area
41.13
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
References
Bioactivity
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