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Chemical ID: 5156525
Chemical ID:
5156525
Name [?]:
4-(bromomethyl)-8-methyl-quinolin-2-ol
SMILES [?]:
Cc1cccc2c1nc(cc2CBr)O
InChi [?]:
InChI=1/C11H10BrNO/c1-7-3-2-4-9-8(6-12)5-10(14)13-11(7)9/h2-5H,6H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,12,2,11,6,9,7,13,8,14/rA:14nCCCCCCCNCCCCBrO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10BrNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95228 |
Area: | 362.291 |
Solvation: | -2.105 |
Coulombic: | -22.8731 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 252.107 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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