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Chemical ID: 4620081
Chemical ID:
4620081
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C3c4ccccc4C(=O)N3c5ccccc5C2=O
InChi [?]:
InChI=1/C21H14N2O2/c24-20-16-11-5-4-10-15(16)19-22(14-8-2-1-3-9-14)21(25)17-12-6-7-13-18(17)23(19)20/h1-13,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,21,20,3,5,10,13,22,19,4,9,14,23,18,8,15,24,7,17,16,25/E:(2,3)(8,9)/rA:25cCCCCCCNCCCCCCCCONCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;s17;s18;d19;s20;d21;d18s22;s7s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.42107 |
Area: | 478.242 |
Solvation: | -2.53497 |
Coulombic: | -37.2124 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 326.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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