ChemDB: Chemical Search
Download
Chemical ID: 6430253
Chemical ID:
6430253
Name [?]:
4-chloro-2-[1-(4-chlorophenyl)aminoethyl]phenol
SMILES [?]:
CC(c1cc(ccc1O)Cl)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13Cl2NO/c1-9(13-8-11(16)4-7-14(13)18)17-12-5-2-10(15)3-6-12/h2-9,17-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,16,6,13,17,7,4,2,15,5,12,3,8,18,10,11,9/E:(2,3)(5,6)/rA:18cCCCCCCCCOClNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s2;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13Cl2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.81141 |
Area: | 470.325 |
Solvation: | -1.94671 |
Coulombic: | -30.4417 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 282.165 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.56 |
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 |
---|