Molecule

ID:1262

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N
Molecular Mass
215.33394
Exact Mass
215.16739968
Charge
0
InChI
InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3
InChIKey
IKFBPFGUINLYQI-UHFFFAOYSA-N
Canonic Smiles
CCNC1C2CCC(C1c1ccccc1)C2
Isomeric Smiles
N(C1C2CC(C1c1ccccc1)CC2)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.029843722
LogD (pH = 7.4)
0.3056124
Log P
3.2056742
Molar Refractivity
67.6398
Polarizability
26.954664
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.46
LOG S
-4.86
Solubility (Water)
2.95e-03 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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