Molecule

ID:19904

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-10-5-7-14(12(3)8-10)17-15-9-11(2)4-6-13(15)16/h4-9H,16H2,1-3H3
InChIKey
HHAZJGYFSNOYFE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2c(cc(cc2)C)C)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.180031
LogD (pH = 7.4)
4.18481
Log P
4.184871
Molar Refractivity
72.1228
Polarizability
27.122719
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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