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Chemical ID: 6379004
Chemical ID:
6379004
Name [?]:
N-(3-bromophenyl)heptanamide
SMILES [?]:
CCCCCCC(=O)Nc1cccc(c1)Br
InChi [?]:
InChI=1/C13H18BrNO/c1-2-3-4-5-9-13(16)15-12-8-6-7-11(14)10-12/h6-8,10H,2-5,9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,12,13,11,6,15,14,10,7,16,9,8/rA:16nCCCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18BrNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66354 |
Area: | 455.682 |
Solvation: | -1.7285 |
Coulombic: | -21.7486 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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