Molecule

ID:1337

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3
InChIKey
ODEGQXRCQDVXSJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CN(C)CCC1(OC(=O)CC)c1ccccc1
Isomeric Smiles
O(C1(C(CN(CC1)C)CC)c1ccccc1)C(=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.027126439
LogD (pH = 7.4)
1.5155181
Log P
3.2220244
Molar Refractivity
81.0104
Polarizability
32.151123
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.46
LOG S
-3.12
Solubility (Water)
2.11e-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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