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Chemical ID: 6836050
Chemical ID:
6836050
Name [?]:
6-chloro-2-phenyl-quinolin-4-ol
SMILES [?]:
c1ccc(cc1)c2cc(c3cc(ccc3n2)Cl)O
InChi [?]:
InChI=1/C15H10ClNO/c16-11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,8,4,12,10,15,7,9,17,16,18/E:(2,3)(4,5)/rA:18nCCCCCCCCCCCCCCCNClO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClNO |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87975 |
Area: | 432.956 |
Solvation: | -1.94416 |
Coulombic: | -24.1299 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 255.699 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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