Molecule

ID:20163

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10H,2,15H2,1H3
InChIKey
HSZDEKXXWFNXMN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)Oc1ccc(cc1)N
Isomeric Smiles
O(c1ccc(N)cc1)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.574989
LogD (pH = 7.4)
3.6022382
Log P
3.602597
Molar Refractivity
66.6414
Polarizability
25.433401
Polar Surface Area
35.25
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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