Molecule

ID:31565

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c17-10-9-15-5-7-16(8-6-15)11-12-1-3-13(4-2-12)14(18)19/h1-4,17H,5-11H2,(H,18,19)
InChIKey
ZDFVKANPVGUALI-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)Cc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(CN2CCN(CC2)CCO)cc1)O
Calculated Properties
JChem
Acid pKa
3.8729465
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.996374
LogD (pH = 7.4)
-2.033658
Log P
-1.9918885
Molar Refractivity
74.1993
Polarizability
28.486605
Polar Surface Area
64.01
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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