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Chemical ID: 4665884
Chemical ID:
4665884
Name [?]:
N,N-dimethyl-4-styryl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)C=Cc2ccccc2
InChi [?]:
InChI=1/C16H17N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,6,8,5,9,12,7,4,2/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:17nCNCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85644 |
Area: | 409.067 |
Solvation: | -1.37022 |
Coulombic: | -10.05 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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