Chemical ID: 6328142

Cc1cc(c2c(c1)c(cc(n2)c3ccc(cc3)Br)C(=O)[O-])C
Chemical ID:
6328142
Name [?]:
2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)c(cc(n2)c3ccc(cc3)Br)C(=O)[O-])C
InChi [?]:
InChI=1/C18H14BrNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,13,17,14,16,3,7,9,2,4,12,15,6,8,10,5,19,18,11,20,21/E:(3,4)(5,6)(21,22)/rA:22nCCCCCCCCCCNCCCCCCBrCOO-C/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13BrNO2-
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-28.5051
Area:494.626
Solvation:-40.8708
Coulombic:-10.0396
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.205
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.75
LogP (Chemaxon):5.46

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Descriptor Annotations

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