Molecule

ID:18823

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3
InChIKey
NMULNYCSMVQQFN-UHFFFAOYSA-N
Canonic Smiles
NCC1(CC1)c1ccc(cc1)C
Isomeric Smiles
C1(CC1)(c1ccc(cc1)C)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.80770284
LogD (pH = 7.4)
0.1302971
Log P
2.1803446
Molar Refractivity
51.3951
Polarizability
20.228304
Polar Surface Area
26.02
Rotatable Bonds
2
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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