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Chemical ID: 6382549
Chemical ID:
6382549
Name [?]:
2-fluoro-N-[(6-nitrobenzo[1,3]dioxol-5-yl)methyleneamino]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)F
InChi [?]:
InChI=1/C15H10FN3O5/c16-11-4-2-1-3-10(11)15(20)18-17-7-9-5-13-14(24-8-23-13)6-12(9)19(21)22/h1-7H,8H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,16,11,22,12,5,4,17,14,15,7,24,10,9,18,8,19,20,23,21/E:(21,22)/CRV:19.5/rA:24nCCCCCCCONNCCCCCCCN+OO-OCOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;s21;s14s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10FN3O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.960143 |
Area: | 491.024 |
Solvation: | -11.3154 |
Coulombic: | -47.0675 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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