Chemical ID: 5179113

c1ccc2c(c1)CC3C(C2)NC3=O
Chemical ID:
5179113
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3C(C2)NC3=O
InChi [?]:
InChI=1/C11H11NO/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-11/h1-4,9-10H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,10,5,4,8,9,12,11,13/rA:13cCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s8s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:6.27735
Area:325.366
Solvation:-1.85679
Coulombic:-21.4492
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:0.95
LogP (Chemaxon):1.33

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