Chemical ID: 6341854

COc1ccccc1C(=O)Nc2ccc(cc2Br)Br
Chemical ID:
6341854
Name [?]:
N-(2,4-dibromophenyl)-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H11Br2NO2/c1-19-13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,13,16,15,8,17,12,3,9,19,18,11,10,2/rA:19nCOCCCCCCCONCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Br2NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.18442
Area:461.777
Solvation:-3.36
Coulombic:-29.2067
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:385.051
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):3.78

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Descriptor Annotations

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