Chemical ID: 6682807

COc1ccc(cc1)N=C=O
Chemical ID:
6682807
Name [?]:
1-isocyanato-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)N=C=O
InChi [?]:
InChI=1/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,10,6,3,9,11,2/E:(2,3)(4,5)/rA:11nCOCCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.63268
Area:313.649
Solvation:-2.20855
Coulombic:-19.097
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:149.147
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):1.64

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Descriptor Annotations

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