Chemical ID: 4802956

CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)Br
Chemical ID:
4802956
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)Br
InChi [?]:
InChI=1/C18H11BrClNO3/c1-21-15(9-3-2-4-10(19)7-9)14-16(22)12-8-11(20)5-6-13(12)24-17(14)18(21)23/h2-8,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,10,11,23,8,18,22,9,7,12,4,3,5,14,15,24,17,2,6,16,13/rA:24cCNCCCOCCCCCCOCCOClCCCCCCBr/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s9;s3;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11BrClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.2241
Area:528.316
Solvation:-2.98384
Coulombic:-35.6554
Bond Count [?]
All:27
Single:18
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:404.642
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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