Molecule

ID:17775

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c13-10(14)9-2-1-8(15-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2,(H,13,14)
InChIKey
QXNDZAWPZXGMNO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)CN1CCNCC1
Isomeric Smiles
c1(oc(cc1)C(=O)O)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
2.5972433
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4740264
LogD (pH = 7.4)
-2.4665666
Log P
-2.463303
Molar Refractivity
54.8807
Polarizability
21.099035
Polar Surface Area
65.71
Rotatable Bonds
3
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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