Molecule

ID:45349

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
InChIKey
DUANFASSZWBAOS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1N(CCCc2ccccc2)CCNC1=O
Isomeric Smiles
C1(C(=O)NCCN1CCCc1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.5547042
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3103765
LogD (pH = 7.4)
-1.5773947
Log P
-1.3157163
Molar Refractivity
75.3205
Polarizability
29.353674
Polar Surface Area
69.64
Rotatable Bonds
6
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
4
H Donor
2
Log P
0.58
LOG S
-1.71
Polar Surface Area
69.64
Rotatable Bonds
6
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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