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Chemical ID: 4563787
Chemical ID:
4563787
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3C
InChi [?]:
InChI=1/C25H20N2O2/c1-14-8-9-19(15(2)12-14)26-20-10-11-21-23-18(13-22(28)27(21)3)16-6-4-5-7-17(16)25(29)24(20)23/h4-13,26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,29,21,20,22,19,3,4,11,12,7,25,2,6,23,18,24,5,10,13,26,14,15,16,9,28,27,17/rA:29nCCCCCCCCNCCCCCCCOCCCCCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s14s23;d24;s25;d26;s13s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8382 |
Area: | 558.667 |
Solvation: | -3.12849 |
Coulombic: | -36.7673 |
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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