Molecule

ID:64734

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKey
CXHUPHNAWXTJFS-UHFFFAOYSA-N
Canonic Smiles
CCCc1nc2ccccc2cc1CC
Isomeric Smiles
c1cc2c(cc1)cc(c(n2)CCC)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.16459
LogD (pH = 7.4)
4.362134
Log P
4.365365
Molar Refractivity
63.4409
Polarizability
26.137585
Polar Surface Area
12.89
Rotatable Bonds
3
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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