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Chemical ID: 4809708
Chemical ID:
4809708
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl)Cl
InChi [?]:
InChI=1/C24H15Cl2NO3/c25-16-11-9-14(10-12-16)21-20-22(28)17-6-2-4-8-19(17)30-23(20)24(29)27(21)13-15-5-1-3-7-18(15)26/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,6,14,3,17,24,28,25,27,7,23,5,26,13,4,18,10,9,11,20,21,29,30,8,12,22,19/E:(9,10)(11,12)/rA:30cCCCCCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15Cl2NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7988 |
Area: | 608.239 |
Solvation: | -3.40717 |
Coulombic: | -38.2102 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 436.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.37 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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