ChemDB: Chemical Search
Download
Chemical ID: 4557910
Chemical ID:
4557910
Name [?]:
None
SMILES [?]:
CC1(Cc2c(cc3c(n2)n(cnc3=O)Cc4ccccc4)CO1)C
InChi [?]:
InChI=1/C19H19N3O2/c1-19(2)9-16-14(11-24-19)8-15-17(21-16)22(12-20-18(15)23)10-13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,17,21,6,3,15,22,11,16,5,7,4,8,13,2,12,9,10,14,23/E:(1,2)(4,5)(6,7)/rA:24nCCCCCCCCNNCNCOCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;d13;s10;s15;s16;d17;s18;d19;d16s20;s5;s2s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96209 |
Area: | 499.377 |
Solvation: | -3.52233 |
Coulombic: | -36.3969 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 321.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.83 |
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 |
---|