ChemDB: Chemical Search
Download
Chemical ID: 3967067
Chemical ID:
3967067
Name [?]:
6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1cc(c(cc1Cl)c2nc(nc(n2)N)N)Cl
InChi [?]:
InChI=1/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,10,12,7,16,15,14,9,13,11/E:(8,9)(12,13)(14,15)/rA:16nCCCCCCClCNCNCNNNCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d11;d8s12;s12;s10;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7Cl2N5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99741 |
Area: | 410.324 |
Solvation: | -1.26068 |
Coulombic: | -52.9606 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.091 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.45 |
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 |
---|