Molecule

ID:89140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1
InChIKey
HBVNLKQGRZPGRP-NSHDSACASA-N
Canonic Smiles
N[C@H]1CCN(C1)Cc1ccccc1
Isomeric Smiles
N1(C[C@H](CC1)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4146807
LogD (pH = 7.4)
-1.3265069
Log P
1.0658606
Molar Refractivity
55.1171
Polarizability
21.906347
Polar Surface Area
29.26
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
References
Bioactivity
Navigation