Molecule

ID:13501

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-2-12-7-4-10(5-8-12)11-6-3-9-13/h10-11,13H,2-9H2,1H3
InChIKey
SYPMOOPAWNBBCE-UHFFFAOYSA-N
Canonic Smiles
OCCCNC1CCN(CC1)CC
Isomeric Smiles
C1C(CCN(C1)CC)NCCCO
Calculated Properties
JChem
Acid pKa
15.9338255
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.8583717
LogD (pH = 7.4)
-3.697998
Log P
-0.43940666
Molar Refractivity
56.0508
Polarizability
22.094809
Polar Surface Area
35.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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