Molecule

ID:14804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11,15H2
InChIKey
VXTXUDSXGALJHG-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccco1)Cc1ccccc1
Isomeric Smiles
C(c1ccco1)(Cc1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.33973432
LogD (pH = 7.4)
0.19008131
Log P
2.6799288
Molar Refractivity
65.5999
Polarizability
25.547972
Polar Surface Area
39.16
Rotatable Bonds
5
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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