Molecule

ID:77453

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N
Molecular Mass
237.33946
Exact Mass
237.15174961
Charge
0
InChI
InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m1/s1
InChIKey
OXOBKZZXZVFOBB-MRXNPFEDSA-N
Canonic Smiles
C1CN[C@H](C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1[C@H](CCC1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.54428446
LogD (pH = 7.4)
0.6608741
Log P
3.7845972
Molar Refractivity
75.8388
Polarizability
29.953854
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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