ChemDB: Chemical Search
Download
Chemical ID: 4097405
Chemical ID:
4097405
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C=NCC3
InChi [?]:
InChI=1/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,12,10,5,7,4,8,11,9/rA:13nCCCCCCCCNCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s11;s7s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48349 |
Area: | 323.255 |
Solvation: | -1.59788 |
Coulombic: | -17.0426 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 170.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.29 |
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 |
---|