Molecule

ID:84587

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-2-9-5-7(1)6-10(9)8-3-4-8/h1-2,7-9H,3-6H2
InChIKey
HTUBGLDDMFRJCM-UHFFFAOYSA-N
Canonic Smiles
C1=CC2CC1CN2C1CC1
Isomeric Smiles
N1(C2CC2)C2C=CC(C1)C2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.0334692
LogD (pH = 7.4)
-0.53774136
Log P
1.251293
Molar Refractivity
42.7141
Polarizability
16.42377
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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