Chemical ID: 4633530

c1ccc2c(c1)C3CC(=NN3C(O2)c4ccc(cc4Cl)Cl)c5ccco5
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

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Descriptor Annotations

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