ChemDB: Chemical Search
Download
Chemical ID: 4703520
Chemical ID:
4703520
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C4C(CO3)CON4C(=O)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2NO3/c22-16-7-5-13(9-17(16)23)21(25)24-20-14(11-27-24)10-26-18-8-6-12-3-1-2-4-15(12)19(18)20/h1-9,14,20H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,7,22,8,25,13,15,5,20,12,4,23,24,9,10,11,18,27,26,17,19,14,16/rA:27cCCCCCCCCCCCCCOCONCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s9s13;s12;s15;s11s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15Cl2NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.0972 |
Area: | 541.879 |
Solvation: | -3.44979 |
Coulombic: | -27.4299 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 400.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.83 |
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 |
---|