Molecule

ID:4194

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₇N₃
Molecular Mass
201.35218
Exact Mass
201.22049788
Charge
0
InChI
InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKey
ZFYULDAPZWEGGQ-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNCCCNCCC
Isomeric Smiles
C(CCNCCCNCC)NCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-7.8877807
LogD (pH = 7.4)
-5.62275
Log P
0.43437248
Molar Refractivity
63.8942
Polarizability
25.611168
Polar Surface Area
36.09
Rotatable Bonds
11
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.99
LOG S
-2.36
Solubility (Water)
8.81e-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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