Molecule

ID:60654

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁N
Molecular Mass
251.36604
Exact Mass
251.16739968
Charge
0
InChI
InChI=1S/C18H21N/c1-17(2)13-18(3,14-9-5-4-6-10-14)15-11-7-8-12-16(15)19-17/h4-12,19H,13H2,1-3H3
InChIKey
OAKHEQUIFZCBFD-UHFFFAOYSA-N
Canonic Smiles
CC1(C)Nc2ccccc2C(C1)(C)c1ccccc1
Isomeric Smiles
C1(c2c(NC(C1)(C)C)cccc2)(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3171453
LogD (pH = 7.4)
4.3480935
Log P
4.348503
Molar Refractivity
92.8325
Polarizability
31.38999
Polar Surface Area
12.03
Rotatable Bonds
1
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