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Chemical ID: 4086011
Chemical ID:
4086011
Name [?]:
N-(3-chlorophenyl)-3,5-dihydroxy-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2cc(cc(c2)O)O
InChi [?]:
InChI=1/C13H10ClNO3/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16)7-12(17)5-8/h1-7,16-17H,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,16,4,14,11,5,3,13,15,9,7,8,18,17,10/E:(4,5)(11,12)(16,17)/rA:18nCCCCCCClNCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55465 |
Area: | 446.941 |
Solvation: | -3.61888 |
Coulombic: | -53.1969 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.676 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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