ChemDB: Chemical Search
Download
Chemical ID: 7698715
Chemical ID:
7698715
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl)C
InChi [?]:
InChI=1/C23H20ClNO3/c1-15-8-9-16(2)21(12-15)28-14-22(26)25-20-11-10-18(24)13-19(20)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,24,23,25,22,26,3,4,15,14,7,17,9,2,5,21,16,18,13,6,10,19,27,12,11,20,8/E:(4,5)(6,7)/rA:28nCCCCCCCOCCONCCCCCCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClNO3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2222 |
Area: | 626.024 |
Solvation: | -4.42841 |
Coulombic: | -39.555 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.94 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|