ChemDB: Chemical Search
Download
Chemical ID: 7688506
Chemical ID:
7688506
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N)C(=O)N2
InChi [?]:
InChI=1/C27H18ClFN4O2/c28-19-14-16(10-11-20(19)29)33-22-8-5-9-23(34)24(22)27(17-6-1-2-7-21(17)31-26(27)35)18(15-30)25(33)32-12-3-4-13-32/h1-4,6-7,10-14H,5,8-9H2,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,16,6,3,17,15,19,20,27,30,23,31,18,5,8,22,21,4,11,13,12,9,33,7,24,25,32,35,26,10,14,34/E:(3,4)(12,13)/rA:35cCCCCCCCCCNCCCOCCCCCCCCCClFNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s21;s9;s26;d27;s28;s26d29;s8;t31;s7;d33;s4s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18ClFN4O2 |
All Atoms: | 53 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7997 |
Area: | 621.867 |
Solvation: | -4.74694 |
Coulombic: | -45.9703 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.72 |
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 |
---|