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Chemical ID: 7708335
Chemical ID:
7708335
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H19BrN2O4/c1-3-24-17-10-13(4-9-16(17)22)11-20-21-18(23)12(2)25-15-7-5-14(19)6-8-15/h4-12,22H,3H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,7,21,23,20,24,8,5,11,16,6,22,19,9,4,14,25,12,13,10,15,3,18/E:(5,6)(7,8)/rA:25cCCOCCCCCCOCNNCOCCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19BrN2O4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.2451 |
Area: | 582.502 |
Solvation: | -7.31745 |
Coulombic: | -49.5577 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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