Chemical ID: 6962322

CC1=CCC(CC1=NNC(=O)c2cccc(c2)Cl)C(=C)C
Chemical ID:
6962322
Name [?]:
3-chloro-N-[(5-isopropenyl-2-methyl-1-cyclohex-2-enylidene)amino]benzamide
SMILES [?]:
CC1=CCC(CC1=NNC(=O)c2cccc(c2)Cl)C(=C)C
InChi [?]:
InChI=1/C17H19ClN2O/c1-11(2)13-8-7-12(3)16(10-13)19-20-17(21)14-5-4-6-15(18)9-14/h4-7,9,13H,1,8,10H2,2-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,14,13,15,3,4,17,6,19,2,5,12,16,7,10,18,8,9,11/rA:21cCCCCCCCNNCOCCCCCCClCCC/rB:s1;d2;s3;s4;s5;s2s6;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClN2O
All Atoms:40
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.1814
Area:513.964
Solvation:-2.66773
Coulombic:-22.3267
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:302.798
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):4.59

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