Chemical ID: 4699220

C#Cc1ccc(cc1)N
Chemical ID:
4699220
Name [?]:
4-ethynylaniline
SMILES [?]:
C#Cc1ccc(cc1)N
InChi [?]:
InChI=1/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,3,6,9/E:(3,4)(5,6)/rA:9nCCCCCCCCN/rB:t1;s2;s3;d4;s5;d6;d3s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.09021
Area:283.926
Solvation:-1.00795
Coulombic:-19.5422
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:117.148
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.7
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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