Molecule

ID:73602

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇N
Molecular Mass
223.31288
Exact Mass
223.13609955
Charge
0
InChI
InChI=1S/C16H17N/c1-2-5-13(6-3-1)14-8-10-15(11-9-14)16-7-4-12-17-16/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKey
VFTXXPDSXZVEAD-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
N1C(c2ccc(cc2)c2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.40809873
LogD (pH = 7.4)
0.71525675
Log P
3.6443846
Molar Refractivity
71.6534
Polarizability
29.641994
Polar Surface Area
12.03
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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