Molecule

ID:2173

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N+
Molecular Mass
114.20864
Exact Mass
114.12827452
Charge
1
InChI
InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1
InChIKey
AVKNGPAMCBSNSO-UHFFFAOYSA-O
Canonic Smiles
[NH3+]CC1CCCCC1
Isomeric Smiles
[NH3+]CC1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-1.5354651
LogD (pH = 7.4)
-1.1245568
Log P
1.4888244
Molar Refractivity
46.9566
Polarizability
14.371663
Polar Surface Area
27.64
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.73
LOG S
-3.99
Solubility (Water)
1.52e-02 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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