ChemDB: Chemical Search
Download
Chemical ID: 4120757
Chemical ID:
4120757
Name [?]:
None
SMILES [?]:
c1cc2cc3c(nc2nc1)CCN(C3)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C15H15N3O3/c19-13(3-4-14(20)21)18-7-5-12-11(9-18)8-10-2-1-6-16-15(10)17-12/h1-2,6,8H,3-5,7,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,11,10,12,4,14,3,5,6,15,19,8,9,7,13,16,20,21/E:(20,21)/rA:21nCCCCCCNCNCCCNCCOCCCOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s6;s11;s12;s5s13;s13;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69714 |
Area: | 474.374 |
Solvation: | -4.16221 |
Coulombic: | -50.1855 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.07 |
LogP (Chemaxon): | 0.33 |
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 |
---|