Chemical ID: 7123512

CC(C)Oc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
Chemical ID:
7123512
Name [?]:
2-(3-isopropoxyphenyl)quinoline-4-carboxylate
SMILES [?]:
CC(C)Oc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO3/c1-12(2)23-14-7-5-6-13(10-14)18-11-16(19(21)22)15-8-3-4-9-17(15)20-18/h3-12H,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,16,17,7,8,6,15,18,10,12,2,9,5,14,13,19,11,21,20,22,23,4/E:(1,2)(21,22)/rA:23nCCCOCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO3-
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.0321
Area:507.976
Solvation:-41.7315
Coulombic:-17.6793
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.335
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.09
LogP (Chemaxon):4.24

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Descriptor Annotations

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