Chemical ID: 4559346

c1ccc2c(c1)-c3cccnc3C2=O
Chemical ID:
4559346
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3cccnc3C2=O
InChi [?]:
InChI=1/C12H7NO/c14-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)12/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,9,6,3,8,10,5,7,4,12,13,11,14/rA:14nCCCCCCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.33419
Area:337.777
Solvation:-2.11022
Coulombic:-15.4111
Bond Count [?]
All:16
Single:9
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:181.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.33
LogP (Chemaxon):1.99

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