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Chemical ID: 7352238
Chemical ID:
7352238
Name [?]:
2-(5-methoxy-1-methyl-indol-2-yl)carbonylamino-2-phenyl-acetic acid
SMILES [?]:
Cn1c2ccc(cc2cc1C(=O)NC(c3ccccc3)C(=O)O)OC
InChi [?]:
InChI=1/C19H18N2O4/c1-21-15-9-8-14(25-2)10-13(15)11-16(21)18(22)20-17(19(23)24)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,18,17,19,16,20,5,4,7,9,15,8,6,3,10,14,11,21,13,2,12,22,23,24/E:(4,5)(6,7)(23,24)/rA:25cCNCCCCCCCCCONCCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s14;d21;s21;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.05019 |
Area: | 545.195 |
Solvation: | -4.57969 |
Coulombic: | -64.2163 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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