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Chemical ID: 4793277
Chemical ID:
4793277
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccccc5Cl
InChi [?]:
InChI=1/C25H18ClNO3/c1-15-10-12-16(13-11-15)22-21-23(28)18-7-3-5-9-20(18)30-24(21)25(29)27(22)14-17-6-2-4-8-19(17)26/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,14,27,15,25,13,28,16,3,7,4,6,23,2,5,24,12,29,17,9,8,10,19,20,30,22,11,21,18/E:(10,11)(12,13)/rA:30cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCl/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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18ClNO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.733 |
Area: | 588.309 |
Solvation: | -2.97471 |
Coulombic: | -38.5355 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 415.868 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.19 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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