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Chemical ID: 4936159
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
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Experimental Annotations
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Descriptor Annotations
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