ChemDB: Chemical Search
Download
Chemical ID: 7391894
Chemical ID:
7391894
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C28H23ClFNO5/c1-15-12-22-18(14-19(15)29)26(32)24-25(17-6-4-5-7-20(17)30)31(28(33)27(24)36-22)11-10-16-8-9-21(34-2)23(13-16)35-3/h4-9,12-14,25H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,34,20,21,19,22,28,29,26,25,3,32,6,2,27,18,5,7,23,30,4,31,11,17,9,12,14,8,24,16,10,15,35,33,13/rA:36cCCCCCCCClCOCCOCONCCCCCCCFCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s23;s16;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H23ClFNO5 |
All Atoms: | 59 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2319 |
Area: | 719.357 |
Solvation: | -7.75201 |
Coulombic: | -53.087 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 507.937 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.86 |
LogP (Chemaxon): | 5.3 |
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 |
---|