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Chemical ID: 4799223
Chemical ID:
4799223
Name [?]:
None
SMILES [?]:
c1cc(c(cc1C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Br)Cl)Cl
InChi [?]:
InChI=1/C19H12BrCl2NO4/c20-10-2-4-14-11(8-10)17(25)15-16(9-1-3-12(21)13(22)7-9)23(5-6-24)19(26)18(15)27-14/h1-4,7-8,16,24H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,14,2,15,22,23,5,12,6,13,11,3,4,16,8,7,9,18,19,25,27,26,21,24,10,20,17/rA:27cCCCCCCCCCOCCCCCCOCCONCCOBrClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12BrCl2NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8193 |
Area: | 590.249 |
Solvation: | -3.93696 |
Coulombic: | -52.3987 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 469.112 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.75 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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