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Chemical ID: 4261687
Chemical ID:
4261687
Name [?]:
N-(2-bromophenyl)hex-5-enamide
SMILES [?]:
C=CCCCC(=O)Nc1ccccc1Br
InChi [?]:
InChI=1/C12H14BrNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h2,5-8H,1,3-4,9H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,12,11,13,10,5,14,9,6,15,8,7/rA:15nCCCCCCONCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14BrNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86054 |
Area: | 420.771 |
Solvation: | -1.65874 |
Coulombic: | -22.9588 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.15 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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