ChemDB: Chemical Search
Download
Chemical ID: 4582900
Chemical ID:
4582900
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)oc3c2ccc4c3CN(CO4)Cc5cccc(c5)Cl
InChi [?]:
InChI=1/C24H18ClNO3/c25-18-8-4-5-16(11-18)13-26-14-21-22(28-15-26)10-9-19-20(12-23(27)29-24(19)21)17-6-2-1-3-7-17/h1-12H,13-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,25,24,3,5,26,14,15,28,8,22,18,20,23,4,27,13,7,17,16,9,12,29,19,10,21,11/E:(2,3)(6,7)/rA:29cCCCCCCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClNO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2904 |
Area: | 608.819 |
Solvation: | -3.93008 |
Coulombic: | -34.3899 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 403.857 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.56 |
LogP (Chemaxon): | 5.92 |
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 |
---|