Molecule

ID:14420

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-4-7-12-9-11(6-3)10-13(14-12)8-5-2/h4-6,9,12-14H,1-3,7-8,10H2
InChIKey
KBXHPBIUZZCCJG-UHFFFAOYSA-N
Canonic Smiles
C=CCC1NC(CC=C)C=C(C1)C=C
Isomeric Smiles
C1(NC(C=C(C1)C=C)CC=C)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.23186277
LogD (pH = 7.4)
0.33935213
Log P
2.9947717
Molar Refractivity
63.9009
Polarizability
24.609116
Polar Surface Area
12.03
Rotatable Bonds
5
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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