Chemical ID: 4557232

c1ccc2c(c1)c(=O)n3c(n2)CCCC3
Chemical ID:
4557232
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)CCCC3
InChi [?]:
InChI=1/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,3,12,15,5,4,10,7,11,9,8/rA:15nCCCCCCCONCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.36194
Area:352.061
Solvation:-1.43957
Coulombic:-22.8377
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.237
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.41
LogP (Chemaxon):1.71

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Descriptor Annotations

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