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Chemical ID: 4581510
Chemical ID:
4581510
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C19H16ClNO3/c1-12-7-18(22)24-19-15(12)5-6-17-16(19)10-21(11-23-17)9-13-3-2-4-14(20)8-13/h2-8H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,9,10,3,23,17,13,15,2,18,22,8,12,11,4,7,24,14,5,16,6/rA:24cCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.43341 |
Area: | 529.093 |
Solvation: | -3.79391 |
Coulombic: | -32.6749 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 341.788 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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