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Chemical ID: 3966086
Chemical ID:
3966086
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,19,20,9,17,10,5,8,4,13,15,7,22,23,14,18,16,21/rA:23cCCCCCCCCCCCCCNCOCNCCOClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s7s17;s18;s19;s7s20;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.25315 |
Area: | 459.339 |
Solvation: | -3.23033 |
Coulombic: | -37.38 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 349.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.14 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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