Chemical ID: 4264013

CN1c2ccccc2CC1=O
Chemical ID:
4264013
Name [?]:
1-methylindolin-2-one
SMILES [?]:
CN1c2ccccc2CC1=O
InChi [?]:
InChI=1/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,9,8,3,10,2,11/rA:11nCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.74614
Area:299.23
Solvation:-1.7346
Coulombic:-15.8481
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:147.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.93
LogP (Chemaxon):0.94

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Experimental Annotations

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Descriptor Annotations

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