Chemical ID: 5149833

CC1Nc2ccccc2C(=O)O1
Chemical ID:
5149833
Name [?]:
9-methyl-8-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-7-one
SMILES [?]:
CC1Nc2ccccc2C(=O)O1
InChi [?]:
InChI=1/C9H9NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-6,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,2,9,4,10,3,11,12/rA:12cCCNCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.82971
Area:312.177
Solvation:-1.9747
Coulombic:-31.6818
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.173
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):2.02

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Descriptor Annotations

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