ChemDB: Chemical Search
Download
Chemical ID: 4775066
Chemical ID:
4775066
Name [?]:
N'-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1cc(cc(c1)Cl)Nc2ncnc(n2)N
InChi [?]:
InChI=1/C9H8ClN5/c10-6-2-1-3-7(4-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,2,4,11,5,3,13,9,7,15,12,10,8,14/rA:15nCCCCCCClNCNCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8ClN5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25192 |
Area: | 388.128 |
Solvation: | -1.45129 |
Coulombic: | -46.8885 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.646 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.93 |
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 |
---|