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Chemical ID: 6933754
Chemical ID:
6933754
Name [?]:
3-bromo-N-(4-pyridylmethyl)propanamide
SMILES [?]:
c1cnccc1CNC(=O)CCBr
InChi [?]:
InChI=1/C9H11BrN2O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:11,1,5,12,2,4,7,6,9,13,3,8,10/E:(2,3)(5,6)/rA:13nCCNCCCCNCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11BrN2O |
All Atoms: | 24 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0795 |
Area: | 383.614 |
Solvation: | -2.51085 |
Coulombic: | -24.4217 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.101 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.1 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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