Chemical ID: 6706804

Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC([NH2+]2)C(=O)[O-]
Chemical ID:
6706804
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC([NH2+]2)C(=O)[O-]
InChi [?]:
InChI=1/C19H18N2O2/c1-11-6-8-12(9-7-11)17-18-14(10-16(21-17)19(22)23)13-4-2-3-5-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,7,4,6,18,2,5,11,10,16,19,8,9,21,17,20,22,23/E:(6,7)(8,9)(22,23)/rA:23cCCCCCCCCCCCCCCCCNCCN+COO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:-18.5947
Area:496.784
Solvation:-31.0143
Coulombic:-24.3264
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.358
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.48
LogP (Chemaxon):1.7

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