Molecule

ID:19425

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N
Molecular Mass
203.32324
Exact Mass
203.16739968
Charge
0
InChI
InChI=1S/C14H21N/c1-10-8-12(3)14(9-11(10)2)13-4-6-15-7-5-13/h8-9,13,15H,4-7H2,1-3H3
InChIKey
FDTMCQVEYOFOCB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(cc1C1CCNCC1)C
Isomeric Smiles
c1(cc(c(cc1C)C)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.39548212
LogD (pH = 7.4)
1.0328017
Log P
3.6185749
Molar Refractivity
66.6026
Polarizability
25.607567
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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