Chemical ID: 7306004

COc1ccc(c(c1)C(=O)NC2CC2)Br
Chemical ID:
7306004
Name [?]:
2-bromo-N-cyclopropyl-5-methoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)C(=O)NC2CC2)Br
InChi [?]:
InChI=1/C11H12BrNO2/c1-15-8-4-5-10(12)9(6-8)11(14)13-7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,5,8,12,3,7,6,9,15,11,10,2/E:(2,3)/rA:15nCOCCCCCCCONCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s12s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12BrNO2
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.07108
Area:398.367
Solvation:-2.88809
Coulombic:-28.5462
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.123
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.68
LogP (Chemaxon):1.88

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