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Chemical ID: 7702094
Chemical ID:
7702094
Name [?]:
None
SMILES [?]:
CCCCC(=O)Nc1cccc(c1)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H19ClN2O2/c1-2-3-11-17(22)20-14-8-6-7-13(12-14)18(23)21-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,20,19,10,11,9,21,18,4,13,12,8,22,17,5,14,23,7,16,6,15/rA:23nCCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0193 |
Area: | 555.272 |
Solvation: | -2.86249 |
Coulombic: | -43.4426 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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