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Chemical ID: 6962323
Chemical ID:
6962323
Name [?]:
N-[(5-isopropenyl-2-methyl-1-cyclohex-2-enylidene)amino]-4-methoxy-benzamide
SMILES [?]:
CC1=CCC(CC1=NNC(=O)c2ccc(cc2)OC)C(=C)C
InChi [?]:
InChI=1/C18H22N2O2/c1-12(2)15-6-5-13(3)17(11-15)19-20-18(21)14-7-9-16(22-4)10-8-14/h5,7-10,15H,1,6,11H2,2-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,19,3,4,13,17,14,16,6,20,2,12,5,15,7,10,8,9,11,18/E:(7,8)(9,10)/rA:22cCCCCCCCNNCOCCCCCCOCCCC/rB:s1;d2;s3;s4;s5;s2s6;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.15221 |
Area: | 529.099 |
Solvation: | -4.07528 |
Coulombic: | -28.4927 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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