Molecule

ID:76212

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N
Molecular Mass
197.2756
Exact Mass
197.12044949
Charge
0
InChI
InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKey
RXMTUVIKZRXSSM-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)c1ccccc1
Isomeric Smiles
NCC(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.11871757
LogD (pH = 7.4)
0.6495099
Log P
2.8864522
Molar Refractivity
63.853
Polarizability
25.161785
Polar Surface Area
26.02
Rotatable Bonds
3
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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