Molecule

ID:34558

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+
InChIKey
CJMPQJDYEONFGO-SPJNRGJMSA-N
Canonic Smiles
N1C[C@@H]2[C@H](C1)[C@@H]1C[C@H]2C=C1
Isomeric Smiles
C1NC[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.569274
LogD (pH = 7.4)
-2.5211353
Log P
0.67209804
Molar Refractivity
42.388
Polarizability
16.42377
Polar Surface Area
12.03
Rotatable Bonds
0
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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