Chemical ID: 4564679

c1cc(=O)oc2c1c3cc[nH]c3cc2
Chemical ID:
4564679
Name [?]:
None
SMILES [?]:
c1cc(=O)oc2c1c3cc[nH]c3cc2
InChi [?]:
InChI=1/C11H7NO2/c13-11-4-1-8-7-5-6-12-9(7)2-3-10(8)14-11/h1-6,12H
InChi Info:
AuxInfo=1/0/N:1,13,14,2,9,10,8,7,12,6,3,11,4,5/rA:14nCCCOOCCCCCNCCC/rB:d1;s2;d3;s3;s5;s1s6;d7;s8;d9;s10;s8s11;d12;d6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.98873
Area:333.129
Solvation:-2.3395
Coulombic:-29.2741
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.179
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.93
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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