Molecule

ID:17315

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c1-18-14-4-2-12(3-5-14)10-16-15-11-17-8-6-13(15)7-9-17/h2-5,13,15-16H,6-11H2,1H3
InChIKey
UVRVRMDWJNKPEL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CN2CCC1CC2
Isomeric Smiles
C1(C2CCN(C1)CC2)NCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3511791
LogD (pH = 7.4)
-0.4530165
Log P
1.7495724
Molar Refractivity
73.7395
Polarizability
29.188326
Polar Surface Area
24.5
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
No Data Available
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Molecule Details
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References
Bioactivity
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