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Chemical ID: 5496891
Chemical ID:
5496891
Name [?]:
6-hydroxy-2-oxo-N'-phenyl-chromene-3-carbohydrazide
SMILES [?]:
c1ccc(cc1)NNC(=O)c2cc3cc(ccc3oc2=O)O
InChi [?]:
InChI=1/C16H12N2O4/c19-12-6-7-14-10(8-12)9-13(16(21)22-14)15(20)18-17-11-4-2-1-3-5-11/h1-9,17,19H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,14,12,13,4,15,11,18,9,20,7,8,22,10,21,19/E:(2,3)(4,5)/rA:22nCCCCCCNNCOCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95459 |
Area: | 492.648 |
Solvation: | -5.3616 |
Coulombic: | -60.0964 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.278 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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