Molecule

ID:13478

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O
Molecular Mass
250.37974
Exact Mass
250.20451346
Charge
0
InChI
InChI=1S/C15H26N2O/c1-11-6-7-13(18-11)10-16-12-8-14(2,3)17-15(4,5)9-12/h6-7,12,16-17H,8-10H2,1-5H3
InChIKey
GFLXJBSGLVHAOC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNC1CC(C)(C)NC(C1)(C)C
Isomeric Smiles
C1(NCc2ccc(o2)C)CC(NC(C1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.033267
LogD (pH = 7.4)
-1.275397
Log P
1.8294642
Molar Refractivity
75.117
Polarizability
29.704826
Polar Surface Area
37.2
Rotatable Bonds
3
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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