Chemical ID: 6444640

c1ccc(cc1)C(=O)c2cc(ccc2NCCBr)Cl
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

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