Chemical ID: 4662995

CNC(=O)c1ccccc1
Chemical ID:
4662995
Name [?]:
N-methylbenzamide
SMILES [?]:
CNC(=O)c1ccccc1
InChi [?]:
InChI=1/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,10,5,3,2,4/E:(3,4)(5,6)/rA:10nCNCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.99616
Area:298.561
Solvation:-1.46787
Coulombic:-23.2324
Bond Count [?]
All:10
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:135.163
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.43
LogP (Chemaxon):0.94

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Experimental Annotations

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Descriptor Annotations

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