Molecule

ID:15800

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁FN₂
Molecular Mass
236.3283432
Exact Mass
236.1688769
Charge
0
InChI
InChI=1S/C14H21FN2/c15-14-3-1-2-12(10-14)4-7-17-8-5-13(11-16)6-9-17/h1-3,10,13H,4-9,11,16H2
InChIKey
XRSCCBBRBQBBHM-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)CCc1cccc(c1)F
Isomeric Smiles
C(CN1CCC(CC1)CN)c1cccc(c1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1810875
LogD (pH = 7.4)
-2.152277
Log P
2.0177844
Molar Refractivity
69.7719
Polarizability
26.957544
Polar Surface Area
29.26
Rotatable Bonds
4
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