Molecule

ID:13499

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c18-12-6-11-17-15(13-7-2-1-3-8-13)14-9-4-5-10-16-14/h1-5,7-10,15,17-18H,6,11-12H2
InChIKey
WMBJYODGBWSBMI-UHFFFAOYSA-N
Canonic Smiles
OCCCNC(c1ccccn1)c1ccccc1
Isomeric Smiles
c1(C(c2ccccn2)NCCCO)ccccc1
Calculated Properties
Provided by Enamine
CLogP
1.10
H Donor
2
Polar Surface Area
45.15
Rotatable Bonds
6
JChem
Log P
1.70
LogD (pH = 7.4)
1.16
LogD (pH = 5.5)
-0.55
Rotatable Bonds
6
H Donor
2
H Acceptors
3
Polar Surface Area
45.15
Molar Refractivity
72
Polarizability
27.53
Acid pKa
15.93
Lipinski's Rule of Five
true
LOG S
-1.73
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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