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Chemical ID: 4278432
Chemical ID:
4278432
Name [?]:
2-chloro-N-(8-quinolyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc3c2nccc3)Cl
InChi [?]:
InChI=1/C16H11ClN2O/c17-13-8-2-1-7-12(13)16(20)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,18,13,19,6,3,11,17,14,5,4,10,15,7,20,16,9,8/rA:20nCCCCCCCONCCCCCCNCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0147 |
Area: | 454.011 |
Solvation: | -2.33557 |
Coulombic: | -28.6903 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 282.724 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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