ChemDB: Chemical Search
Download
Chemical ID: 7746357
Chemical ID:
7746357
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NC3(CCNCC3)NC2=O
InChi [?]:
InChI=1/C13H15N3O/c17-12-11(10-4-2-1-3-5-10)15-13(16-12)6-8-14-9-7-13/h1-5,14H,6-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,14,11,13,4,7,16,9,12,8,15,17/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCCNCCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;s11;s12;s9s13;s9;s7s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.28832 |
Area: | 399.205 |
Solvation: | -1.6918 |
Coulombic: | -38.9132 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.09 |
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 |
---|