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Chemical ID: 6760428
Chemical ID:
6760428
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H21ClN2O2/c1-2-28-19-13-9-16(10-14-19)21-15-22-20-5-3-4-6-23(20)29-24(27(22)26-21)17-7-11-18(25)12-8-17/h3-15,22,24,26H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,24,28,6,8,25,27,5,9,11,7,23,26,4,13,10,12,18,20,29,22,21,3,19/E:(7,8)(9,10)(11,12)(13,14)/rA:29cCCOCCCCCCCCCCCCCCCOCNNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;s10s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN2O2 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.5778 |
Area: | 623.479 |
Solvation: | -4.00919 |
Coulombic: | -30.9984 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 404.889 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.36 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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