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Chemical ID: 7969440
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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