Molecule

ID:21028

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H19NO.ClH/c1-2-6-13-11(4-1)5-3-7-14(13)16-12-8-9-15-10-12;/h3,5,7,12,15H,1-2,4,6,8-10H2;1H
InChIKey
KKKNJGLDEDJFBE-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1cccc2c1CCCC2.Cl
Isomeric Smiles
c1(c2c(ccc1)CCCC2)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37914923
LogD (pH = 7.4)
0.09831681
Log P
2.851627
Molar Refractivity
65.2944
Polarizability
25.665121
Polar Surface Area
21.26
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