ChemDB: Chemical Search
Download
Chemical ID: 7664302
Chemical ID:
7664302
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc(c2C=NNC(=O)c3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C25H16ClN3O5/c26-19-10-5-18(6-11-19)25(31)34-23-14-9-16-3-1-2-4-21(16)22(23)15-27-28-24(30)17-7-12-20(13-8-17)29(32)33/h1-15H,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,29,33,17,21,7,30,32,18,20,8,11,5,16,28,31,19,4,10,9,14,26,34,12,13,22,15,27,23,24,25/E:(5,6)(7,8)(10,11)(12,13)(32,33)/CRV:29.5/rA:34nCCCCCCCCCCCNNCOCCCCCCN+OO-OCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;s9;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H16ClN3O5 |
All Atoms: | 50 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.02976 |
Area: | 682.877 |
Solvation: | -10.0422 |
Coulombic: | -52.0243 |
Bond Count [?]
All: | 37 |
Single: | 22 |
Double: | 15 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.15 |
LogP (Chemaxon): | None |
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 |
---|