Molecule

ID:50350

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N
Molecular Mass
211.30218
Exact Mass
211.13609955
Charge
0
InChI
InChI=1S/C15H17N/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15H,16H2,1-2H3
InChIKey
KMPMUIHLWYUKCS-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccc(cc1)C)c1ccc(cc1)C
Isomeric Smiles
C(c1ccc(cc1)C)(c1ccc(cc1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9756812
LogD (pH = 7.4)
2.1971097
Log P
3.9100971
Molar Refractivity
68.8966
Polarizability
26.920925
Polar Surface Area
26.02
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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