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Chemical ID: 6430326
Chemical ID:
6430326
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3C)C
InChi [?]:
InChI=1/C25H20N2O2/c1-14-8-9-15(2)20(12-14)26-19-10-11-21-23-18(13-22(28)27(21)3)16-6-4-5-7-17(16)25(29)24(19)23/h4-13,26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,20,19,21,18,3,4,10,11,7,24,2,5,22,17,23,9,6,12,25,13,14,15,8,27,26,16/rA:29nCCCCCCCNCCCCCCCOCCCCCCCCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13s22;d23;s24;d25;s12s25;s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8181 |
Area: | 558.685 |
Solvation: | -3.14899 |
Coulombic: | -36.8046 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 380.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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