ChemDB: Chemical Search
Download
Chemical ID: 5775641
Chemical ID:
5775641
Name [?]:
None
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C2C(C3c4ccccc4C2c5c3cccc5)C
InChi [?]:
InChI=1/C25H22ClNO/c1-14-20(26)12-7-13-21(14)27-25(28)23-15(2)22-16-8-3-5-10-18(16)24(23)19-11-6-4-9-17(19)22/h3-13,15,22-24H,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,17,25,18,26,5,16,24,19,27,6,4,2,13,15,23,20,22,7,3,14,12,21,10,8,9,11/E:(3,4)(5,6)(8,9)(10,11)(16,17)(18,19)/rA:28cCCCCCCCClNCOCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s21;s14s22;d23;s24;d25;d22s26;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22ClNO |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.9045 |
Area: | 568.906 |
Solvation: | -2.31812 |
Coulombic: | -24.3553 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 387.901 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.85 |
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 |
---|