Molecule

ID:47456

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂ClNO₃
Molecular Mass
369.92598
Exact Mass
369.20707157
Charge
0
InChI
InChI=1S/C20H31NO3.ClH/c1-19(2,3)13-8-9-17(15(10-13)20(4,5)6)24-14-11-16(21-12-14)18(22)23-7;/h8-10,14,16,21H,11-12H2,1-7H3;1H/t14-,16-;/m0./s1
InChIKey
IDCUVUOZCRSFCF-DMLYUBSXSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1C(C)(C)C)C(C)(C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2422662
LogD (pH = 7.4)
4.2681403
Log P
4.3253193
Molar Refractivity
95.743
Polarizability
38.191586
Polar Surface Area
47.56
Rotatable Bonds
6
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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