ChemDB: Chemical Search
Download
Chemical ID: 7520924
Chemical ID:
7520924
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5ccccc5)Cl
InChi [?]:
InChI=1/C25H18ClNO3/c1-2-15-8-10-16(11-9-15)22-21-23(28)19-14-17(26)12-13-20(19)30-24(21)25(29)27(22)18-6-4-3-5-7-18/h3-14,22H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,27,26,28,25,29,4,8,5,7,16,17,14,3,6,15,24,13,18,10,9,11,20,21,30,23,12,22,19/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCCCCCCCCCCCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;d25;s26;d27;d24s28;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18ClNO3 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2556 |
Area: | 612.023 |
Solvation: | -3.045 |
Coulombic: | -37.0977 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.51 |
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 |
---|