ChemDB: Chemical Search
Download
Chemical ID: 7721834
Chemical ID:
7721834
Name [?]:
None
SMILES [?]:
CC1CC(=O)NN=C1c2ccc3c(c2)[nH]c(n3)COc4ccccc4O
InChi [?]:
InChI=1/C19H18N4O3/c1-11-8-18(25)22-23-19(11)12-6-7-13-14(9-12)21-17(20-13)10-26-16-5-3-2-4-15(16)24/h2-7,9,11,24H,8,10H2,1H3,(H,20,21)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,10,11,3,14,18,2,9,12,13,25,20,16,4,8,17,15,6,7,26,5,19/rA:26cCCCCONNCCCCCCCNCNCOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s2d7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.83162 |
Area: | 555.836 |
Solvation: | -5.06427 |
Coulombic: | -59.4229 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.69 |
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 |
---|