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Chemical ID: 4562405
Chemical ID:
4562405
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3C
InChi [?]:
InChI=1/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,20,19,21,18,3,7,4,6,10,11,24,2,5,22,17,23,9,12,25,13,14,15,8,27,26,16/E:(7,8)(9,10)/rA:28nCCCCCCCNCCCCCCCOCCCCCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13s22;d23;s24;d25;s12s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.336 |
Area: | 538.892 |
Solvation: | -3.1363 |
Coulombic: | -36.9419 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 366.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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