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Chemical ID: 5827780
Chemical ID:
5827780
Name [?]:
N-(2-bromophenyl)cyclopropanecarboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC2)Br
InChi [?]:
InChI=1/C10H10BrNO/c11-8-3-1-2-4-9(8)12-10(13)7-5-6-7/h1-4,7H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,10,4,5,8,13,7,9/E:(5,6)/rA:13nCCCCCCNCOCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s10s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10BrNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52748 |
Area: | 359.988 |
Solvation: | -1.47222 |
Coulombic: | -21.3383 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.097 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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