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Chemical ID: 4525415
Chemical ID:
4525415
Name [?]:
N-[1-(5-methyl-2-furyl)but-3-enyl]aniline
SMILES [?]:
Cc1ccc(o1)C(CC=C)Nc2ccccc2
InChi [?]:
InChI=1/C15H17NO/c1-3-7-14(15-11-10-12(2)17-15)16-13-8-5-4-6-9-13/h3-6,8-11,14,16H,1,7H2,2H3
InChi Info:
AuxInfo=1/0/N:10,1,9,15,14,16,8,13,17,3,4,2,12,7,5,11,6/E:(5,6)(8,9)/rA:17cCCCCCOCCCCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s7;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.33064 |
Area: | 436.668 |
Solvation: | -2.58605 |
Coulombic: | -21.0778 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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