Molecule

ID:55962

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅N
Molecular Mass
255.3978
Exact Mass
255.19869981
Charge
0
InChI
InChI=1S/C18H25N/c1-2-15-3-4-16(8-17(15)19)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,2,5-7,9-11,19H2,1H3
InChIKey
RZNXNFOOKXUKLF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1N)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(c3cc(c(cc3)CC)N)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4239163
LogD (pH = 7.4)
4.4506006
Log P
4.4509516
Molar Refractivity
81.1087
Polarizability
31.267284
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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