ChemDB: Chemical Search
Download
Chemical ID: 4950501
Chemical ID:
4950501
Name [?]:
4-(3-aminophenyl)azobenzene-1,3-diamine
SMILES [?]:
c1cc(cc(c1)N=Nc2ccc(cc2N)N)N
InChi [?]:
InChI=1/C12H13N5/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15/h1-7H,13-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,4,13,3,12,5,14,9,17,16,15,7,8/rA:17nCCCCCCNNCCCCCCNNN/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72477 |
Area: | 388.822 |
Solvation: | -1.99579 |
Coulombic: | -53.5575 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.265 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 5 |
XLogP: | 0.84 |
LogP (Chemaxon): | 2.0 |
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 |
---|