Molecule

ID:76969

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-14-11-6-3-2-5-10(11)12(9-13)7-4-8-12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKey
QYBDUMVPPQVMRK-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCC1)c1ccccc1OC
Isomeric Smiles
NCC1(c2ccccc2OC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0246251
LogD (pH = 7.4)
-0.016596317
Log P
1.9538206
Molar Refractivity
57.4181
Polarizability
22.788937
Polar Surface Area
35.25
Rotatable Bonds
3
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