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Chemical ID: 7676688
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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