Chemical ID: 4936159

c1ccc2c(c1)C3CCC(=O)N3CN2
Chemical ID:
4936159
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CCC(=O)N3CN2
InChi [?]:
InChI=1/C11H12N2O/c14-11-6-5-10-8-3-1-2-4-9(8)12-7-13(10)11/h1-4,10,12H,5-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,13,5,4,7,10,14,12,11/rA:14cCCCCCCCCCCONCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s7s10;s12;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.08774
Area:336.887
Solvation:-2.33444
Coulombic:-26.8871
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.22
LogP (Chemaxon):1.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue