Molecule

ID:387

General Information
Structure
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Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
InChIKey
OZYUPQUCAUTOBP-QXAKKESOSA-N
Canonic Smiles
C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2
Isomeric Smiles
[C@@]123[C@H]([C@H](N(CC2)CC=C)Cc2c1cc(cc2)O)CCCC3
Calculated Properties
JChem
Acid pKa
10.3627615
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6962585
LogD (pH = 7.4)
1.9874055
Log P
3.7553673
Molar Refractivity
87.2436
Polarizability
33.84198
Polar Surface Area
23.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.91
LOG S
-4.05
Solubility (Water)
2.52e-02 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
No Data Available
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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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