Chemical ID: 6048101

c1ccc2c(c1)CCC(C(=O)N2)N
Chemical ID:
6048101
Name [?]:
4-amino-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCC(C(=O)N2)N
InChi [?]:
InChI=1/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,5,9,4,10,13,12,11/rA:13cCCCCCCCCCCONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.18773
Area:327.894
Solvation:-2.00962
Coulombic:-33.5035
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.215
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):1.04

Name Annotations

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Descriptor Annotations

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