Chemical ID: 5156525

Cc1cccc2c1nc(cc2CBr)O
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

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Descriptor Annotations

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