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Chemical ID: 6462986
Chemical ID:
6462986
Name [?]:
N-(2-bromophenyl)undec-10-enamide
SMILES [?]:
C=CCCCCCCCCC(=O)Nc1ccccc1Br
InChi [?]:
InChI=1/C17H24BrNO/c1-2-3-4-5-6-7-8-9-14-17(20)19-16-13-11-10-12-15(16)18/h2,10-13H,1,3-9,14H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,17,16,18,15,10,19,14,11,20,13,12/rA:20nCCCCCCCCCCCONCCCCCCBr/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24BrNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2309 |
Area: | 555.852 |
Solvation: | -1.66536 |
Coulombic: | -24.5343 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 338.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.51 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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