Molecule

ID:44483

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
DLTLETIGPVMJIX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2C1CN(C2)Cc1ccccc1
Isomeric Smiles
N1(CC2C(C1)CCC2=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.69722
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0376873
LogD (pH = 7.4)
0.5333904
Log P
2.1859317
Molar Refractivity
64.474
Polarizability
25.213009
Polar Surface Area
20.31
Rotatable Bonds
2
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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