Chemical ID: 6419487

c1ccc2c(c1)c(ncn2)NCC(CO)O
Chemical ID:
6419487
Name [?]:
3-quinazolin-4-ylaminopropane-1,2-diol
SMILES [?]:
c1ccc2c(c1)c(ncn2)NCC(CO)O
InChi [?]:
InChI=1/C11H13N3O2/c15-6-8(16)5-12-11-9-3-1-2-4-10(9)13-7-14-11/h1-4,7-8,15-16H,5-6H2,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,9,13,5,4,7,11,10,8,15,16/rA:16cCCCCCCCNCNNCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;s11;s12;s13;s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:5.72237
Area:403.613
Solvation:-4.36796
Coulombic:-55.6422
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.24
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.51
LogP (Chemaxon):0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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