Chemical ID: 6933821

COc1cccc(c1C(=O)NCCBr)OC
Chemical ID:
6933821
Name [?]:
N-(2-bromoethyl)-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)NCCBr)OC
InChi [?]:
InChI=1/C11H14BrNO3/c1-15-8-4-3-5-9(16-2)10(8)11(14)13-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,5,4,6,13,12,3,7,8,9,14,11,10,2,15/E:(1,2)(4,5)(8,9)(15,16)/rA:16nCOCCCCCCCONCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s7;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14BrNO3
All Atoms:30
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.0355
Area:429.598
Solvation:-4.70446
Coulombic:-35.9166
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:288.138
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):1.21

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Descriptor Annotations

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