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Chemical ID: 6863731
Chemical ID:
6863731
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4c(c(=O)[nH]3)C(=O)C
InChi [?]:
InChI=1/C25H18N2O3/c1-13-7-9-15(10-8-13)26-19-12-11-18-22-21(20(14(2)28)25(30)27-18)16-5-3-4-6-17(16)24(29)23(19)22/h3-12,26H,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,30,20,19,21,18,3,7,4,6,11,10,2,28,5,22,17,12,9,24,23,13,14,15,25,8,27,29,16,26/E:(7,8)(9,10)/rA:30nCCCCCCCNCCCCCCCOCCCCCCCCCONCOC/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;s24;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89046 |
Area: | 561.096 |
Solvation: | -4.13694 |
Coulombic: | -47.7836 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 394.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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