Molecule

ID:74550

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇BrN₂O₂
Molecular Mass
373.24378
Exact Mass
372.04733979
Charge
0
InChI
InChI=1S/C18H17BrN2O2/c19-14-5-7-15(8-6-14)23-12-18(22)20-10-9-13-11-21-17-4-2-1-3-16(13)17/h1-8,11,21H,9-10,12H2,(H,20,22)
InChIKey
VVLZEYQMIJTNNZ-UHFFFAOYSA-N
Canonic Smiles
O=C(COc1ccc(cc1)Br)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNC(=O)COc1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
14.476995
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.5909402
LogD (pH = 7.4)
3.5909402
Log P
3.5909402
Molar Refractivity
93.4016
Polarizability
37.04799
Polar Surface Area
54.12
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation