ChemDB: Chemical Search
Download
Chemical ID: 7653727
Chemical ID:
7653727
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCn2c3c(cn2)c4nc(nn4c(n3)N)c5ccco5
InChi [?]:
InChI=1/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,7,8,25,12,4,11,22,16,10,14,19,21,13,15,20,17,9,18,26/E:(2,3)(5,6)/rA:26nCCCCCCCCNCCCNCNCNNCNNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s19;s16;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N7O |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9333 |
Area: | 563.56 |
Solvation: | -3.15575 |
Coulombic: | -48.9365 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.14 |
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 |
---|