ChemDB: Chemical Search
Download
Chemical ID: 7616760
Chemical ID:
7616760
Name [?]:
None
SMILES [?]:
C[n+]1c(sc2c1c3ccccc3cc2)C=C(C=C4N(c5c6ccccc6ccc5S4)C)c7ccccc7
InChi [?]:
InChI=1/C33H25N2S2/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31/h3-21H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,31,35,34,36,10,24,9,23,33,37,11,25,8,22,13,27,14,28,15,17,32,12,26,16,7,21,5,29,3,18,6,20,2,19,4,30/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1/rA:37nCN+CSCCCCCCCCCCCCCCNCCCCCCCCCCSCCCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;s9;d10;s7s11;d12;d5s13;s3;w15;s16;w17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s18s29;s19;s16;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H25N2S2+ |
All Atoms: | 62 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -10.0574 |
Area: | 703.095 |
Solvation: | -27.6348 |
Coulombic: | 5.66007 |
Bond Count [?]
All: | 43 |
Single: | 27 |
Double: | 16 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 9.85 |
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 |
---|