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Chemical ID: 4633530
Chemical ID:
4633530
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CC(=NN3C(O2)c4ccc(cc4Cl)Cl)c5ccco5
InChi [?]:
InChI=1/C20H14Cl2N2O2/c21-12-7-8-13(15(22)10-12)20-24-17(14-4-1-2-5-18(14)26-20)11-16(23-24)19-6-3-9-25-19/h1-10,17,20H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,24,6,3,23,16,15,25,18,8,17,14,5,19,9,7,4,22,12,21,20,10,11,26,13/rA:26cCCCCCCCCCNNCOCCCCCCClClCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s7s10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s19;s17;s9;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1266 |
Area: | 564.569 |
Solvation: | -2.98765 |
Coulombic: | -24.3701 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 385.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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