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Chemical ID: 4803466
Chemical ID:
4803466
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Cl)CCc5ccccc5
InChi [?]:
InChI=1/C26H20ClNO3/c1-16-7-12-21-20(15-16)24(29)22-23(18-8-10-19(27)11-9-18)28(26(30)25(22)31-21)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,3,18,22,19,21,4,25,24,7,2,26,17,20,6,5,10,16,8,11,13,23,15,9,14,12/E:(3,4)(5,6)(8,9)(10,11)/rA:31cCCCCCCCCOCCOCONCCCCCCCClCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20ClNO3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0751 |
Area: | 651.978 |
Solvation: | -3.22432 |
Coulombic: | -38.3072 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 429.895 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.35 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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