Chemical ID: 6420492

c1ccc2c(c1)cc3c(n2)C(NC3)CC(=O)O
Chemical ID:
6420492
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc3c(n2)C(NC3)CC(=O)O
InChi [?]:
InChI=1/C13H12N2O2/c16-12(17)6-11-13-9(7-14-11)5-8-3-1-2-4-10(8)15-13/h1-5,11,14H,6-7H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,14,13,5,8,4,11,15,9,12,10,16,17/E:(16,17)/rA:17cCCCCCCCCCNCNCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s8s12;s11;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.51948
Area:396.897
Solvation:-2.40295
Coulombic:-40.4496
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.247
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.06
LogP (Chemaxon):-0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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