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Chemical ID: 4798022
Chemical ID:
4798022
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Cl
InChi [?]:
InChI=1/C19H14ClNO4/c20-12-6-7-14-13(10-12)17(23)15-16(11-4-2-1-3-5-11)21(8-9-22)19(24)18(15)25-14/h1-7,10,16,22H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,15,22,23,12,4,13,11,16,8,7,9,18,19,25,21,24,10,20,17/E:(2,3)(4,5)/rA:25cCCCCCCCCCOCCCCCCOCCONCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.37985 |
Area: | 531.612 |
Solvation: | -3.91046 |
Coulombic: | -52.5227 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.772 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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