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Chemical ID: 4803722
Chemical ID:
4803722
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5
InChi [?]:
InChI=1/C25H19NO3/c1-16-11-13-18(14-12-16)22-21-23(27)19-9-5-6-10-20(19)29-24(21)25(28)26(22)15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,28,14,15,25,29,13,16,3,7,4,6,23,2,24,5,12,17,9,8,10,19,20,22,11,21,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29cCCCCCCCCCCOCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3944 |
Area: | 581.342 |
Solvation: | -3.13913 |
Coulombic: | -38.1431 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.423 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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