Molecule

ID:29240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-5-14-9-12(4)15-13-8-10(2)6-7-11(13)3/h6-8,12,14H,5,9H2,1-4H3
InChIKey
OBLWLAQDGFKMGH-UHFFFAOYSA-N
Canonic Smiles
CCNCC(Oc1cc(C)ccc1C)C
Isomeric Smiles
c1(OC(CNCC)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.049997803
LogD (pH = 7.4)
0.9515955
Log P
3.251397
Molar Refractivity
64.4954
Polarizability
25.296976
Polar Surface Area
21.26
Rotatable Bonds
5
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