Molecule

ID:76072

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11-12H,4,7-9H2
InChIKey
NKHMSOXIXROFRU-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)Cc1ccccc1
Isomeric Smiles
N1C(Cc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.95434576
LogD (pH = 7.4)
-0.82909495
Log P
2.2858205
Molar Refractivity
51.2722
Polarizability
20.312277
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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