Molecule

ID:4443

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N
Molecular Mass
141.25386
Exact Mass
141.15174961
Charge
0
InChI
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
InChIKey
XVQUOJBERHHONY-UHFFFAOYSA-N
Canonic Smiles
CNC(CCC=C(C)C)C
Isomeric Smiles
CC(CCC=C(C)C)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9186996
LogD (pH = 7.4)
-0.63449925
Log P
2.3181725
Molar Refractivity
47.5864
Polarizability
18.653461
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.07
LOG S
-1.66
Solubility (Water)
3.06e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
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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