Molecule
ID:28864
General Information
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-2-15-12-8-10-14(11-9-12)16-13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
InChIKey
SKNFEKIHODSONX-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(NCC)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0624726
LogD (pH = 7.4)
3.2990816
Log P
3.3031192
Molar Refractivity
67.2412
Polarizability
25.514257
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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