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Chemical ID: 5185391
Chemical ID:
5185391
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CCC2NC3=O
InChi [?]:
InChI=1/C11H11NO/c13-11-9-5-6-10(12-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,4,7,10,12,11,13/rA:13cCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s7s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.11355 |
Area: | 316.561 |
Solvation: | -1.80049 |
Coulombic: | -21.7622 |
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: | 1.33 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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