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Chemical ID: 7708442
Chemical ID:
7708442
Name [?]:
None
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)NN=Cc3cc4ccccc4[nH]c3=O)O
InChi [?]:
InChI=1/C21H15N3O3/c25-19-11-14-6-2-1-5-13(14)10-17(19)21(27)24-22-12-16-9-15-7-3-4-8-18(15)23-20(16)26/h1-12,25H,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,10,3,19,22,17,8,5,15,9,4,18,16,7,23,6,25,11,14,24,13,27,26,12/rA:27nCCCCCCCCCCCONNCCCCCCCCCNCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;w14;s15;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15N3O3 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.4112 |
Area: | 565.998 |
Solvation: | -6.73874 |
Coulombic: | -55.0714 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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