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Chemical ID: 6444640
Chemical ID:
6444640
Name [?]:
[2-(2-bromoethylamino)-5-chloro-phenyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2cc(ccc2NCCBr)Cl
InChi [?]:
InChI=1/C15H13BrClNO/c16-8-9-18-14-7-6-12(17)10-13(14)15(19)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,17,16,10,4,11,9,14,7,18,19,15,8/E:(2,3)(4,5)/rA:19nCCCCCCCOCCCCCCNCCBrCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3087 |
Area: | 492.4 |
Solvation: | -2.00129 |
Coulombic: | -23.4032 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.627 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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