Molecule

ID:2148

General Information
Structure
Molecular Formula
C₉H₁₇N
Molecular Mass
139.23798
Exact Mass
139.13609955
Charge
0
InChI
InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKey
OLTRGBMOWPXXIG-CBAPKCEASA-N
Canonic Smiles
CC1(C)[C@H]2CC[C@]1(C)NC2
Isomeric Smiles
CC1(C)[C@H]2CC[C@]1(C)NC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6087174
LogD (pH = 7.4)
-1.5328047
Log P
1.6322451
Molar Refractivity
42.7535
Polarizability
17.397926
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.06
LOG S
-1.5
Solubility (Water)
4.38e+00 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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