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Chemical ID: 5579782
Chemical ID:
5579782
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C15H12ClNO2/c1-10(18)17-14-8-7-12(16)9-13(14)15(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,7,6,9,2,13,8,10,5,11,19,4,3,12/E:(3,4)(5,6)/rA:19nCCONCCCCCCCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99069 |
Area: | 460.014 |
Solvation: | -2.50967 |
Coulombic: | -30.3243 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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