ChemDB: Chemical Search
Download
Chemical ID: 5055694
Chemical ID:
5055694
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)N2Cc3cc4c(cc3C2)CN(C4)c5ccc(c(c5)C)C
InChi [?]:
InChI=1/C26H28N2/c1-17-5-7-25(9-19(17)3)27-13-21-11-23-15-28(16-24(23)12-22(21)14-27)26-8-6-18(2)20(4)10-26/h5-12H,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,8,27,3,23,4,22,6,26,12,15,10,17,20,18,2,24,7,25,11,16,13,14,5,21,9,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22,23,24)(25,26)(27,28)/rA:28nCCCCCCCCNCCCCCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s13s19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2246 |
Area: | 595.373 |
Solvation: | -2.65967 |
Coulombic: | -14.8893 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 368.514 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.98 |
LogP (Chemaxon): | 7.46 |
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 |
---|