Chemical ID: 6175877

c1cc2c3c(c1)C(=O)CC3NCC2
Chemical ID:
6175877
Name [?]:
None
SMILES [?]:
c1cc2c3c(c1)C(=O)CC3NCC2
InChi [?]:
InChI=1/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,9,3,5,10,7,4,11,8/rA:13cCCCCCCCOCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;s3s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.10488
Area:318.427
Solvation:-1.85579
Coulombic:-16.7827
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:0.94
LogP (Chemaxon):0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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