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Chemical ID: 7531935
Chemical ID:
7531935
Name [?]:
4-bromo-N-(morpholinocarbonylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)N2CCOCC2)Br
InChi [?]:
InChI=1/C13H15BrN2O3/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16/h1-4H,5-9H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,18,15,17,10,6,3,11,7,19,9,13,12,8,16/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCCCCONCCONCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15BrN2O3 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.07102 |
Area: | 475.68 |
Solvation: | -3.82098 |
Coulombic: | -46.5011 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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