ChemDB: Chemical Search
Download
Chemical ID: 7701514
Chemical ID:
7701514
Name [?]:
None
SMILES [?]:
C=CCOc1ccccc1C=NNC(=O)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H16ClN3O3/c1-2-11-25-16-10-6-3-7-13(16)12-20-22-18(24)17(23)21-15-9-5-4-8-14(15)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,22,21,7,9,23,20,6,3,11,10,24,19,5,16,14,25,12,18,13,17,15,4/rA:25nCCCOCCCCCCCNNCOCONCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3O3 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.63202 |
Area: | 577.415 |
Solvation: | -4.80337 |
Coulombic: | -53.2608 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
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 |
---|