Chemical ID: 5179180

C1C2=CC3C=CC2C(C=C3)NC1=O
Chemical ID:
5179180
Name [?]:
None
SMILES [?]:
C1C2=CC3C=CC2C(C=C3)NC1=O
InChi [?]:
InChI=1/C11H11NO/c13-11-6-8-5-7-1-3-9(8)10(12-11)4-2-7/h1-5,7,9-10H,6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:5,10,6,9,3,1,4,2,7,8,12,11,13/rA:13cCCCCCCCCCCNCO/rB:s1;d2;s3;s4;d5;s2s6;s7;s8;s4d9;s8;s1s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:5.99625
Area:306.54
Solvation:-1.66725
Coulombic:-22.6589
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.0
LogP (Chemaxon):0.27

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