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Chemical ID: 6332200
Chemical ID:
6332200
Name [?]:
None
SMILES [?]:
Cc1c(cccc1Cl)N2C(=O)C3C4CC(C3C2=O)C=C4
InChi [?]:
InChI=1/C16H14ClNO2/c1-8-11(17)3-2-4-12(8)18-15(19)13-9-5-6-10(7-9)14(13)16(18)20/h2-6,9-10,13-14H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,19,20,14,2,15,13,7,3,16,12,17,10,8,9,18,11/E:(5,6)(9,10)(13,14)(15,16)(19,20)/rA:20cCCCCCCCClNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s12s15;s9s16;d17;s15;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.4279 |
Area: | 439.049 |
Solvation: | -2.54834 |
Coulombic: | -25.3606 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 287.741 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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