Molecule

ID:4451

General Information
Structure
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Molecular Formula
C₁₀H₂₁N
Molecular Mass
155.28044
Exact Mass
155.16739968
Charge
0
InChI
InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChIKey
JCRIVQIOJSSCQD-UHFFFAOYSA-N
Canonic Smiles
CNC(CC1CCCCC1)C
Isomeric Smiles
CC(CC1CCCCC1)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.53163725
LogD (pH = 7.4)
-0.22243364
Log P
2.7045949
Molar Refractivity
49.5352
Polarizability
19.986317
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.37
LOG S
-3.23
Solubility (Water)
9.04e-02 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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