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Chemical ID: 6455409
Chemical ID:
6455409
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccc(cc4)Cl)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H18Cl2N2O/c25-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)27-22)13-14-28(23)24(29)16-7-11-18(26)12-8-16/h1-12,23,27H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,24,28,17,21,25,27,18,20,13,12,23,16,26,19,5,7,4,8,10,14,29,22,9,11,15/E:(5,6)(7,8)(9,10)(11,12)/rA:29cCCCCCCCCNCNCCCOCCCCCCClCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s19;s10;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2N2O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.56 |
Area: | 605.482 |
Solvation: | -2.57699 |
Coulombic: | -32.3908 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 421.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.03 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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