ChemDB: Chemical Search
Download
Chemical ID: 7113789
Chemical ID:
7113789
Name [?]:
2-[(2,3-dichlorophenyl)methylamino]-1-phenyl-propan-1-ol
SMILES [?]:
CC(C(c1ccccc1)O)NCc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H17Cl2NO/c1-11(16(20)12-6-3-2-4-7-12)19-10-13-8-5-9-14(17)15(13)18/h2-9,11,16,19-20H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,15,5,9,14,16,12,2,4,13,17,18,3,20,19,11,10/E:(3,4)(6,7)/rA:20cCCCCCCCCCONCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17Cl2NO |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.92626 |
Area: | 503.87 |
Solvation: | -2.67049 |
Coulombic: | -29.5924 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.218 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.43 |
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 |
---|