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Chemical ID: 7972141
Chemical ID:
7972141
Name [?]:
(6-aminoindolin-1-yl)-cyclopropyl-methanone
SMILES [?]:
c1cc2c(cc1N)N(CC2)C(=O)C3CC3
InChi [?]:
InChI=1/C12H14N2O/c13-10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6,13H2
InChi Info:
AuxInfo=1/0/N:14,15,2,1,10,9,5,3,13,6,4,11,7,8,12/E:(1,2)/rA:15nCCCCCCNNCCCOCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3s9;s8;d11;s11;s13;s13s14;/rC:-.0168,1.3852,.0097;1.1729,2.0869,.0021;2.3791,1.4122,-.0135;2.4122,.0259,-.0213;1.2104,-.6817,-.0127;.0021,-.0041,.002;-1.1983,-.7182,.0108;3.7242,-.4578,-.0369;4.6717,.6599,-.0403;3.8012,1.927,-.0249;4.067,-1.7612,-.0473;3.2054,-2.6149,-.0433;5.5207,-2.1579,-.0639;6.0845,-2.8279,1.1908;5.8449,-3.6531,-.0751;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28656 |
Area: | 375.198 |
Solvation: | -2.09339 |
Coulombic: | -31.621 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.65 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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