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Chemical ID: 4275256
Chemical ID:
4275256
Name [?]:
N-(4-bromophenyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C11H8BrNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,5,12,9,3,6,15,8,7,4/E:(3,4)(5,6)/rA:15nCCCOCCONCCCCCCBr/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8BrNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77065 |
Area: | 390.014 |
Solvation: | -1.97969 |
Coulombic: | -30.7298 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.091 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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