Chemical ID: 4687445

CC(=O)Nc1cccc2c1ccnc2
Chemical ID:
4687445
Name [?]:
N-(5-isoquinolyl)acetamide
SMILES [?]:
CC(=O)Nc1cccc2c1ccnc2
InChi [?]:
InChI=1/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,11,12,14,2,9,10,5,13,4,3/rA:14nCCONCCCCCCCCNC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.08066
Area:346.984
Solvation:-2.59394
Coulombic:-23.8572
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:186.21
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.29
LogP (Chemaxon):1.06

Name Annotations

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Descriptor Annotations

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