Chemical ID: 5230701

c1ccc2c(c1)CC(=O)NC2c3ccc(cc3)N
Chemical ID:
5230701
Name [?]:
1-(4-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one
SMILES [?]:
c1ccc2c(c1)CC(=O)NC2c3ccc(cc3)N
InChi [?]:
InChI=1/C15H14N2O/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,17,14,16,7,12,5,15,4,8,11,18,10,9/E:(5,6)(7,8)/rA:18cCCCCCCCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.05693
Area:410.965
Solvation:-2.2172
Coulombic:-39.0431
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.285
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.69
LogP (Chemaxon):1.85

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