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Chemical ID: 7306004
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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