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Chemical ID: 4562460
Chemical ID:
4562460
Name [?]:
None
SMILES [?]:
Cn1c2ccc(c3c2c(cc1=O)-c4ccccc4C3=O)Nc5ccccc5
InChi [?]:
InChI=1/C23H16N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,23,27,14,17,5,4,10,22,13,18,9,6,3,11,8,7,19,21,2,12,20/E:(3,4)(7,8)/rA:27nCNCCCCCCCCCOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s9;s13;d14;s15;d16;d13s17;s7s18;d19;s6;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8431 |
Area: | 518.59 |
Solvation: | -3.12164 |
Coulombic: | -37.2075 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 352.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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