Chemical ID: 5215159

c1ccc2c(c1)CCC3N2C(=O)CC3
Chemical ID:
5215159
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3N2C(=O)CC3
InChi [?]:
InChI=1/C12H13NO/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h1-4,10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,13,5,9,4,11,10,12/rA:14cCCCCCCCCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.46547
Area:334.963
Solvation:-1.9086
Coulombic:-15.7202
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.64
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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