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Chemical ID: 6510551
Chemical ID:
6510551
Name [?]:
N-(3-chloro-4-hydroxy-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)Cl)O
InChi [?]:
InChI=1/C8H8ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,6,7,10,2,5,9,8,11,4,3,12/rA:12nCCONCCCCCCClO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8ClNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.83048 |
Area: | 342.603 |
Solvation: | -2.7346 |
Coulombic: | -35.2993 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.607 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.07 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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