Molecule

ID:79587

General Information
Structure
Molecular Formula
C₁₆H₁₈
Molecular Mass
210.31412
Exact Mass
210.14085058
Charge
0
InChI
InChI=1S/C16H18/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3
InChIKey
JZDZRFNMDCBTNS-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
CCCCc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4675984
LogD (pH = 7.4)
5.4675984
Log P
5.4675984
Molar Refractivity
70.0384
Polarizability
28.818218
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation
CAS 37909-95-8|1-(Biphenyl-4-yl)butane|4-(But-1-yl)biphenyl 98%|1-butyl-4-phenylbenzene|1-butyl-4-phenylbenzene|4-丁基联苯|4-Butylbiphenyl|4-正丁基联苯|4-n-Butylbiphenyl | Molfinder