Molecule

ID:37964

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKey
UUTBSNFHBOVJLI-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C1CCCN1
Isomeric Smiles
c1(C2NCCC2)cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.726838
LogD (pH = 7.4)
-0.46522003
Log P
2.5105805
Molar Refractivity
51.5584
Polarizability
20.308779
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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