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Chemical ID: 5798037
Chemical ID:
5798037
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3cc4c(nn3)-c5ccccc5C4=O
InChi [?]:
InChI=1/C23H14N2O/c26-23-19-9-5-4-8-18(19)22-20(23)14-21(24-25-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,8,12,9,11,14,4,7,10,19,24,15,13,16,25,18,17,26/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCCCCCCCCCCNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s15s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H14N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.122 |
Area: | 548.673 |
Solvation: | -2.59481 |
Coulombic: | -15.6908 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.47 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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