Molecule

ID:87501

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
InChIKey
HBVNLKQGRZPGRP-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CCC(C1)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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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