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Chemical ID: 5179180
Chemical ID:
5179180
Name [?]:
None
SMILES [?]:
C1C2=CC3C=CC2C(C=C3)NC1=O
InChi [?]:
InChI=1/C11H11NO/c13-11-6-8-5-7-1-3-9(8)10(12-11)4-2-7/h1-5,7,9-10H,6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:5,10,6,9,3,1,4,2,7,8,12,11,13/rA:13cCCCCCCCCCCNCO/rB:s1;d2;s3;s4;d5;s2s6;s7;s8;s4d9;s8;s1s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.99625 |
Area: | 306.54 |
Solvation: | -1.66725 |
Coulombic: | -22.6589 |
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: | 1.0 |
LogP (Chemaxon): | 0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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