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Chemical ID: 4559008
Chemical ID:
4559008
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c4c(cccc4[nH]c(=O)c3N)C2=O
InChi [?]:
InChI=1/C16H10N2O2/c17-14-13-8-4-1-2-5-9(8)15(19)10-6-3-7-11(12(10)13)18-16(14)20/h1-7H,17H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,10,12,5,4,9,13,8,7,17,19,15,18,14,20,16/rA:20nCCCCCCCCCCCCCNCOCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;d7s15;s17;s4s9;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.752 |
Area: | 406.202 |
Solvation: | -2.40305 |
Coulombic: | -48.3424 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 262.263 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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