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Chemical ID: 6641171
Chemical ID:
6641171
Name [?]:
1-(3-methoxyphenyl)imidazolidin-2-one
SMILES [?]:
COc1cccc(c1)N2CCNC2=O
InChi [?]:
InChI=1/C10H12N2O2/c1-14-9-4-2-3-8(7-9)12-6-5-11-10(12)13/h2-4,7H,5-6H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,11,10,8,7,3,13,12,9,14,2/rA:14nCOCCCCCCNCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.82382 |
Area: | 352.26 |
Solvation: | -2.98267 |
Coulombic: | -37.1368 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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