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Chemical ID: 7440192
Chemical ID:
7440192
Name [?]:
3-hydroxy-N-(8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-4-ylmethyleneamino)naphthalene-2-carboxamide
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)NN=Cc3ccc4c(c3)non4)O
InChi [?]:
InChI=1/C18H12N4O3/c23-17-9-13-4-2-1-3-12(13)8-14(17)18(24)20-19-10-11-5-6-15-16(7-11)22-25-21-15/h1-10,23H,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,17,18,21,8,5,15,16,9,4,7,19,20,6,11,14,13,24,22,25,12,23/rA:25nCCCCCCCCCCCONNCCCCCCCNONO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;w14;s15;s16;d17;s18;s19;d16s20;d20;s22;d19s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08849 |
Area: | 539.153 |
Solvation: | -5.39033 |
Coulombic: | -37.4592 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.313 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.04 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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