ChemDB: Chemical Search
Download
Chemical ID: 7390111
Chemical ID:
7390111
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)C2C3=C(c4ccccc4C3=O)Nc5ccccc5S2)C
InChi [?]:
InChI=1/C25H21NOS/c1-14-12-15(2)21(16(3)13-14)25-22-23(17-8-4-5-9-18(17)24(22)27)26-19-10-6-7-11-20(19)28-25/h4-13,25-26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,28,14,15,23,24,13,16,22,25,7,3,2,6,4,12,17,21,26,5,10,11,18,9,20,19,27/E:(2,3)(12,13)(15,16)/rA:28cCCCCCCCCCCCCCCCCCCONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;d18;s11;s20;s21;d22;s23;d24;d21s25;s9s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21NOS |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7293 |
Area: | 551.948 |
Solvation: | -2.0694 |
Coulombic: | -23.6965 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 383.506 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.63 |
LogP (Chemaxon): | 5.71 |
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 |
---|