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Chemical ID: 6379768
Chemical ID:
6379768
Name [?]:
3-bromo-N-pentyl-benzamide
SMILES [?]:
CCCCCNC(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,11,10,12,5,14,9,13,7,15,6,8/rA:15nCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16BrNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47118 |
Area: | 435.424 |
Solvation: | -1.41442 |
Coulombic: | -24.0924 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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