Molecule

ID:5699

General Information
Structure
Molecular Formula
C₁₈H₂₉N
Molecular Mass
259.42956
Exact Mass
259.22999993
Charge
0
InChI
InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKey
UEEAJOUBQAEABH-JZXOWHBKSA-N
Canonic Smiles
C[C@@H](C[C@H](c1ccccc1)C)C[C@@H]1CCCCN1C
Isomeric Smiles
[C@H](C)(C[C@@H](C)c1ccccc1)C[C@@H]1CCCCN1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5595082
LogD (pH = 7.4)
2.4537556
Log P
5.021181
Molar Refractivity
84.0681
Polarizability
33.241737
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.34
LOG S
-5.84
Solubility (Water)
3.71e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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