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Chemical ID: 6516601
Chemical ID:
6516601
Name [?]:
phthalamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)C(=O)N
InChi [?]:
InChI=1/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,9,12,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12nCCCCCCCONCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.65608 |
Area: | 313.778 |
Solvation: | -3.18837 |
Coulombic: | -50.8655 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.161 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.2 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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