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Chemical ID: 7654820
Chemical ID:
7654820
Name [?]:
None
SMILES [?]:
CC1(CC(=O)c2cc(ccc2O1)N)C
InChi [?]:
InChI=1/C11H13NO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,7,3,8,6,4,11,2,13,5,12/E:(1,2)/rA:14nCCCCOCCCCCCONC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s8;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 27 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.31395 |
Area: | 345.125 |
Solvation: | -2.31417 |
Coulombic: | -31.8074 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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