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Chemical ID: 5179113
Chemical ID:
5179113
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3C(C2)NC3=O
InChi [?]:
InChI=1/C11H11NO/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-11/h1-4,9-10H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,10,5,4,8,9,12,11,13/rA:13cCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s8s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.27735 |
Area: | 325.366 |
Solvation: | -1.85679 |
Coulombic: | -21.4492 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 173.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.95 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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