Chemical ID: 7676688

Cn1c2c(c(cc(n2)c3ccc(cc3)Cl)C(=O)OC)c(n1)C4CC4
Chemical ID:
7676688
Name [?]:
None
SMILES [?]:
Cn1c2c(c(cc(n2)c3ccc(cc3)Cl)C(=O)OC)c(n1)C4CC4
InChi [?]:
InChI=1/C18H16ClN3O2/c1-22-17-15(16(21-22)11-3-4-11)13(18(23)24-2)9-14(20-17)10-5-7-12(19)8-6-10/h5-9,11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,23,24,10,14,11,13,6,9,22,12,5,7,4,20,3,16,15,8,21,2,17,18/E:(3,4)(5,6)(7,8)/rA:24nCNCCCCCNCCCCCCClCOOCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s12;s5;d16;s16;s18;s4;s2d20;s20;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O2
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.8271
Area:539.453
Solvation:-2.65922
Coulombic:-31.0122
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.37
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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