ChemDB: Chemical Search
Download
Chemical ID: 5287918
Chemical ID:
5287918
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C23H21Cl2NO4/c1-13(2)29-11-5-10-26-20(14-8-9-16(24)17(25)12-14)19-21(27)15-6-3-4-7-18(15)30-22(19)23(26)28/h3-4,6-9,12-13,20H,5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,14,17,24,25,7,5,28,2,23,13,26,27,18,10,9,11,20,21,30,29,8,12,22,4,19/E:(1,2)/rA:30cCCCOCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21Cl2NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7883 |
Area: | 654.403 |
Solvation: | -4.5718 |
Coulombic: | -44.2479 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 446.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.34 |
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 |
---|