Molecule

ID:4232

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1
InChIKey
BVYBGDRWIWQPOV-GFCCVEGCSA-N
Canonic Smiles
C=CCN([C@@H](Cc1ccccc1)C)C
Isomeric Smiles
C=CCN(C)[C@H](C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.07076465
LogD (pH = 7.4)
1.5728194
Log P
3.3511286
Molar Refractivity
62.9372
Polarizability
24.524168
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.23
LOG S
-3.16
Solubility (Water)
1.30e-01 g/l
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
References
Bioactivity
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