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Chemical ID: 5261319
Chemical ID:
5261319
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
InChi [?]:
InChI=1/C18H13NO3/c19-18(21)14-9-22-15-8-7-12-11-4-2-1-3-10(11)5-6-13(12)17(20)16(14)15/h1-6,9H,7-8H2,(H2,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,12,16,5,4,10,9,15,13,14,21,18,20,22,19,17/rA:22nCCCCCCCCCCCCCCCCOCONCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;s13s16;s15;d18;s18;s9s14;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43076 |
Area: | 451.568 |
Solvation: | -3.85845 |
Coulombic: | -40.891 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 291.301 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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