Chemical ID: 7969440

c1cc2c(cc1N)c(=O)cco2
Chemical ID:
7969440
Name [?]:
6-aminochromen-4-one
SMILES [?]:
c1cc2c(cc1N)c(=O)cco2
InChi [?]:
InChI=1/C9H7NO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,5,6,4,8,3,7,9,12/rA:12nCCCCCCNCOCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s11;/rC:-.0168,1.389,.0097;1.159,2.1072,.0023;2.3793,1.4426,-.0129;2.4006,.0382,-.0206;1.2086,-.6827,-.0126;.0021,-.0041,.002;-1.2003,-.7183,.0106;3.7108,-.6412,-.0367;3.7956,-1.8574,-.0444;4.8681,.1811,-.0433;4.7323,1.5198,-.0349;3.5419,2.128,-.0198;

Chemical Details

Atom Count
Formula:C18H21ClN2
All Atoms:19
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.45442
Area:309.517
Solvation:-2.28349
Coulombic:-31.5118
Bond Count [?]
All:20
Single:15
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.86
LogP (Chemaxon):0.87

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