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Chemical ID: 4183358
Chemical ID:
4183358
Name [?]:
N-(2-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
c1ccc2c(c1)c(c(c(=O)[nH]2)C(=O)Nc3ccccc3Cl)O
InChi [?]:
InChI=1/C16H11ClN2O3/c17-10-6-2-4-8-12(10)19-16(22)13-14(20)9-5-1-3-7-11(9)18-15(13)21/h1-8H,(H,19,22)(H2,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,3,16,5,20,4,15,8,7,9,12,21,11,14,22,10,13/rA:22nCCCCCCCCCONCONCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14913 |
Area: | 481.834 |
Solvation: | -2.89673 |
Coulombic: | -59.4115 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.723 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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